5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile

C250H144N8O8 — CID 158855740

IUPAC5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc6ccccc6c45)ccc3c2)cc1.N#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc4c3)cc2)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1.N#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1.[C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc3cc(-c4cc5oc6ccccc6c5c5ccccc45)c4ccccc4c3c2)c1
InChIInChI=1S/2C39H23NO.C37H21NO.2C33H19NO.3C23H13NO/c40-24-25-6-5-7-28(20-25)26-12-14-27(15-13-26)29-16-17-31-22-32(19-18-30(31)21-29)36-23-37-34-9-3-4-11-38(34)41-39(37)35-10-2-1-8-33(35)36;40-24-25-5-7-26(8-6-25)27-9-11-28(12-10-27)30-13-14-32-22-33(16-15-31(32)21-30)34-17-19-36-38(23-34)41-37-20-18-29-3-1-2-4-35(29)39(36)37;1-38-26-10-8-9-23(19-26)24-17-18-25-21-33(28-12-3-2-11-27(28)32(25)20-24)34-22-36-37(30-14-5-4-13-29(30)34)31-15-6-7-16-35(31)39-36;34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31;34-20-21-5-7-22(8-6-21)24-9-10-26-18-27(12-11-25(26)17-24)28-13-15-30-32(19-28)35-31-16-14-23-3-1-2-4-29(23)33(30)31;1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22;24-14-15-4-3-6-17(12-15)18-8-10-20-22(13-18)25-21-11-9-16-5-1-2-7-19(16)23(20)21;24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h2*1-23H;2-22H;2*1-19H;2-14H;2*1-13H
InChIKeyJAAISSSSMLWBDM-UHFFFAOYSA-N
MW3387.95 g/mol
LogP70.17
Rot. Bonds15

About 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile

5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile (PubChem CID 158855740) has the molecular formula C250H144N8O8 and a molecular weight of 3387.95 g/mol. Its IUPAC name is 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile
PubChem CID158855740
Molecular FormulaC250H144N8O8
Molecular Weight3387.95 g/mol
Exact Mass3385.11
IUPAC Name5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc6ccccc6c45)ccc3c2)cc1.N#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc4c3)cc2)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1.N#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1.[C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc3cc(-c4cc5oc6ccccc6c5c5ccccc45)c4ccccc4c3c2)c1
InChIInChI=1S/2C39H23NO.C37H21NO.2C33H19NO.3C23H13NO/c40-24-25-6-5-7-28(20-25)26-12-14-27(15-13-26)29-16-17-31-22-32(19-18-30(31)21-29)36-23-37-34-9-3-4-11-38(34)41-39(37)35-10-2-1-8-33(35)36;40-24-25-5-7-26(8-6-25)27-9-11-28(12-10-27)30-13-14-32-22-33(16-15-31(32)21-30)34-17-19-36-38(23-34)41-37-20-18-29-3-1-2-4-35(29)39(36)37;1-38-26-10-8-9-23(19-26)24-17-18-25-21-33(28-12-3-2-11-27(28)32(25)20-24)34-22-36-37(30-14-5-4-13-29(30)34)31-15-6-7-16-35(31)39-36;34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31;34-20-21-5-7-22(8-6-21)24-9-10-26-18-27(12-11-25(26)17-24)28-13-15-30-32(19-28)35-31-16-14-23-3-1-2-4-29(23)33(30)31;1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22;24-14-15-4-3-6-17(12-15)18-8-10-20-22(13-18)25-21-11-9-16-5-1-2-7-19(16)23(20)21;24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h2*1-23H;2-22H;2*1-19H;2-14H;2*1-13H
InChIKeyJAAISSSSMLWBDM-UHFFFAOYSA-N
XLogP70.17
TPSA256.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.95
LogP ≤ 570.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile
CID 159499972
2-dibenzofuran-3-yl-4-[3-[11-(3-isocyanophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-4-yl]phenyl]-6-phenyl-1,3,5-triazine;4-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]benzonitrile;4-[3-[4-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]phenyl]benzonitrile
CID 165005076
3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
CID 70847284
2-dibenzofuran-1-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-[4-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;4-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 158117758
2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 159263479
21-[10-[4-(7-isocyanonaphthalen-2-yl)phenyl]anthracen-9-yl]-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;5-isocyano-2-[4-[10-(13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)anthracen-9-yl]phenyl]benzonitrile;3-[7-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)naphthalen-2-yl]benzonitrile;4-[6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)phenanthren-3-yl]benzonitrile
CID 165038936
3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
CID 70847305
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]benzene-1,3-dicarbonitrile;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]naphthalene-2-carbonitrile;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]naphthalen-1-yl]benzonitrile
CID 165065520
2-[5-[4-(4-isocyanophenyl)phenyl]naphtho[1,2-b][1]benzofuran-8-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 176817809
21-(6-isocyanonaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 147000555
3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile
CID 140963211

Frequently Asked Questions

What is the IUPAC name of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile?
The IUPAC name of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile (CID 158855740) is 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile?
The canonical SMILES for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4cc(-c5ccc6c(c5)oc5ccc7ccccc7c56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4ccc6ccccc6c45)ccc3c2)cc1.N#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc4c3)cc2)c1.N#Cc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1.N#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1.[C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc3cc(-c4cc5oc6ccccc6c5c5ccccc45)c4ccccc4c3c2)c1.
What is the InChIKey of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile?
The InChIKey is JAAISSSSMLWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H23NO.C37H21NO.2C33H19NO.3C23H13NO/c40-24-25-6-5-7-28(20-25)26-12-14-27(15-13-26)29-16-17-31-22-32(19-18-30(31)21-29)36-23-37-34-9-3-4-11-38(34)41-39(37)35-10-2-1-8-33(35)36;40-24-25-5-7-26(8-6-25)27-9-11-28(12-10-27)30-13-14-32-22-33(16-15-31(32)21-30)34-17-19-36-38(23-34)41-37-20-18-29-3-1-2-4-35(29)39(36)37;1-38-26-10-8-9-23(19-26)24-17-18-25-21-33(28-12-3-2-11-27(28)32(25)20-24)34-22-36-37(30-14-5-4-13-29(30)34)31-15-6-7-16-35(31)39-36;34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31;34-20-21-5-7-22(8-6-21)24-9-10-26-18-27(12-11-25(26)17-24)28-13-15-30-32(19-28)35-31-16-14-23-3-1-2-4-29(23)33(30)31;1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22;24-14-15-4-3-6-17(12-15)18-8-10-20-22(13-18)25-21-11-9-16-5-1-2-7-19(16)23(20)21;24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h2*1-23H;2-22H;2*1-19H;2-14H;2*1-13H.
What are the key properties of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile?
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile has a molecular weight of 3387.95 g/mol, XLogP of 70.17, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 158855740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).