9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole

C38H23NO — CID 177298805

IUPAC9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc-2c13
InChIInChI=1S/C38H23NO/c1-2-12-28-24(9-1)10-7-16-33(28)39-34-15-5-3-13-29(34)31-22-25(19-20-35(31)39)27-21-26-11-8-18-37-38(26)32(23-27)30-14-4-6-17-36(30)40-37/h1-23H
InChIKeyVCGLQTSKZFOHCU-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.53
Rot. Bonds2

About 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole

9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole (PubChem CID 177298805) has the molecular formula C38H23NO and a molecular weight of 509.61 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole
PubChem CID177298805
Molecular FormulaC38H23NO
Molecular Weight509.61 g/mol
Exact Mass509.18
IUPAC Name9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc-2c13
InChIInChI=1S/C38H23NO/c1-2-12-28-24(9-1)10-7-16-33(28)39-34-15-5-3-13-29(34)31-22-25(19-20-35(31)39)27-21-26-11-8-18-37-38(26)32(23-27)30-14-4-6-17-36(30)40-37/h1-23H
InChIKeyVCGLQTSKZFOHCU-UHFFFAOYSA-N
XLogP10.53
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole with MolForge

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Related Compounds

21-naphthalen-1-yl-17-(9-phenylcarbazol-3-yl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15(20),16,18-undecaene
CID 167137798
5-naphthalen-1-yl-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)benzo[b]carbazole
CID 177127912
9-naphthalen-1-yl-3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole
CID 177297850
15-[2-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297238
21-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137688
[4-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)carbazol-9-yl]phenyl]-diphenylborane
CID 177127194
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole?
The IUPAC name of 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole (CID 177298805) is 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole?
The canonical SMILES for 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole is c1ccc2c(c1)Oc1cccc3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc-2c13.
What is the InChIKey of 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole?
The InChIKey is VCGLQTSKZFOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO/c1-2-12-28-24(9-1)10-7-16-33(28)39-34-15-5-3-13-29(34)31-22-25(19-20-35(31)39)27-21-26-11-8-18-37-38(26)32(23-27)30-14-4-6-17-36(30)40-37/h1-23H.
What are the key properties of 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole?
9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole has a molecular weight of 509.61 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)carbazole is sourced from PubChem (CID 177298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).