12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole

C144H87N5O5 — CID 158223269

IUPAC12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cccc2c1.c1ccc2c(c1)cc(-n1c3ccccc3c3ccc4c5ccccc5oc4c31)c1ccccc12.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc12.c1ccc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2c1
InChIInChI=1S/2C32H19NO.2C28H17NO.C24H15NO/c1-2-8-23-20(7-1)13-14-21-19-22(15-16-24(21)23)33-29-11-5-3-9-25(29)27-17-18-28-26-10-4-6-12-30(26)34-32(28)31(27)33;1-2-10-21-20(9-1)19-29(23-12-4-3-11-22(21)23)33-28-15-7-5-13-24(28)26-17-18-27-25-14-6-8-16-30(25)34-32(27)31(26)33;1-2-10-19-18(8-1)9-7-14-24(19)29-25-13-5-3-11-20(25)22-16-17-23-21-12-4-6-15-26(21)30-28(23)27(22)29;1-2-8-19-17-20(14-13-18(19)7-1)29-25-11-5-3-9-21(25)23-15-16-24-22-10-4-6-12-26(22)30-28(24)27(23)29;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-14-15-20-18-11-5-7-13-22(18)26-24(20)23(19)25/h2*1-19H;2*1-17H;1-15H
InChIKeyGDMRJYOMLGEZMC-UHFFFAOYSA-N
MW1967.31 g/mol
LogP40.33
Rot. Bonds5

About 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole

12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 158223269) has the molecular formula C144H87N5O5 and a molecular weight of 1967.31 g/mol. Its IUPAC name is 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID158223269
Molecular FormulaC144H87N5O5
Molecular Weight1967.31 g/mol
Exact Mass1965.67
IUPAC Name12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cccc2c1.c1ccc2c(c1)cc(-n1c3ccccc3c3ccc4c5ccccc5oc4c31)c1ccccc12.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc12.c1ccc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2c1
InChIInChI=1S/2C32H19NO.2C28H17NO.C24H15NO/c1-2-8-23-20(7-1)13-14-21-19-22(15-16-24(21)23)33-29-11-5-3-9-25(29)27-17-18-28-26-10-4-6-12-30(26)34-32(28)31(27)33;1-2-10-21-20(9-1)19-29(23-12-4-3-11-22(21)23)33-28-15-7-5-13-24(28)26-17-18-27-25-14-6-8-16-30(25)34-32(27)31(26)33;1-2-10-19-18(8-1)9-7-14-24(19)29-25-13-5-3-11-20(25)22-16-17-23-21-12-4-6-15-26(21)30-28(23)27(22)29;1-2-8-19-17-20(14-13-18(19)7-1)29-25-11-5-3-9-21(25)23-15-16-24-22-10-4-6-12-26(22)30-28(24)27(23)29;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-14-15-20-18-11-5-7-13-22(18)26-24(20)23(19)25/h2*1-19H;2*1-17H;1-15H
InChIKeyGDMRJYOMLGEZMC-UHFFFAOYSA-N
XLogP40.33
TPSA90.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001967.31
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole
CID 158059321
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
15-phenanthren-9-yl-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679019
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
12-naphthalen-2-yl-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene;12-phenanthren-2-yl-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene;12-phenanthren-3-yl-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene;12-phenanthren-9-yl-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 158315555
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118502832
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
15-phenanthren-9-yl-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 140957579

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 158223269) is 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc2c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cccc2c1.c1ccc2c(c1)cc(-n1c3ccccc3c3ccc4c5ccccc5oc4c31)c1ccccc12.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc12.c1ccc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc2c1.
What is the InChIKey of 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is GDMRJYOMLGEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H19NO.2C28H17NO.C24H15NO/c1-2-8-23-20(7-1)13-14-21-19-22(15-16-24(21)23)33-29-11-5-3-9-25(29)27-17-18-28-26-10-4-6-12-30(26)34-32(28)31(27)33;1-2-10-21-20(9-1)19-29(23-12-4-3-11-22(21)23)33-28-15-7-5-13-24(28)26-17-18-27-25-14-6-8-16-30(25)34-32(27)31(26)33;1-2-10-19-18(8-1)9-7-14-24(19)29-25-13-5-3-11-20(25)22-16-17-23-21-12-4-6-15-26(21)30-28(23)27(22)29;1-2-8-19-17-20(14-13-18(19)7-1)29-25-11-5-3-9-21(25)23-15-16-24-22-10-4-6-12-26(22)30-28(24)27(23)29;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-14-15-20-18-11-5-7-13-22(18)26-24(20)23(19)25/h2*1-19H;2*1-17H;1-15H.
What are the key properties of 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole?
12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1967.31 g/mol, XLogP of 40.33, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 158223269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).