3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

C40H23NO — CID 118361136

IUPAC3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)ccc1oc3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7ccc6c54)cc3c12
InChIInChI=1S/C40H23NO/c1-3-11-27-24(9-1)17-20-32-37(27)29-13-5-6-14-30(29)39-31-15-7-8-16-34(31)41(40(32)39)26-19-22-35-33(23-26)38-28-12-4-2-10-25(28)18-21-36(38)42-35/h1-23H
InChIKeySDCRZHCFOZIYSA-UHFFFAOYSA-N
MW533.63 g/mol
LogP11.30
Rot. Bonds1

About 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (PubChem CID 118361136) has the molecular formula C40H23NO and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
PubChem CID118361136
Molecular FormulaC40H23NO
Molecular Weight533.63 g/mol
Exact Mass533.18
IUPAC Name3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)ccc1oc3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7ccc6c54)cc3c12
InChIInChI=1S/C40H23NO/c1-3-11-27-24(9-1)17-20-32-37(27)29-13-5-6-14-30(29)39-31-15-7-8-16-34(31)41(40(32)39)26-19-22-35-33(23-26)38-28-12-4-2-10-25(28)18-21-36(38)42-35/h1-23H
InChIKeySDCRZHCFOZIYSA-UHFFFAOYSA-N
XLogP11.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

3-(4-phenylphenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 118361110
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-dibenzofuran-2-yl-15-thia-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;24-dibenzofuran-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 158056542
3-phenyl-25-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 126737864
9-naphtho[1,2-b][1]benzothiol-8-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361191
9-(4-methylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361283
23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465779
9-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361343
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
CID 154600343
9-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361345
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[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 134369923
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140913945

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (CID 118361136) is 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is c1ccc2c(c1)ccc1oc3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7ccc6c54)cc3c12.
What is the InChIKey of 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
The InChIKey is SDCRZHCFOZIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO/c1-3-11-27-24(9-1)17-20-32-37(27)29-13-5-6-14-30(29)39-31-15-7-8-16-34(31)41(40(32)39)26-19-22-35-33(23-26)38-28-12-4-2-10-25(28)18-21-36(38)42-35/h1-23H.
What are the key properties of 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?
3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene has a molecular weight of 533.63 g/mol, XLogP of 11.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphtho[2,1-b][1]benzofuran-10-yl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 118361136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).