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

C42H25NO — CID 177127912

IUPAC5-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
SMILESc1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)-c2cccc5cccc(c25)O4)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C42H25NO/c1-2-10-29-25-39-35(22-28(29)9-1)34-23-30(18-20-38(34)43(39)37-16-6-11-26-8-3-4-14-32(26)37)31-19-21-40-36(24-31)33-15-5-12-27-13-7-17-41(44-40)42(27)33/h1-25H
InChIKeyOOKZUPSHRJCHIE-UHFFFAOYSA-N
MW559.67 g/mol
LogP11.68
Rot. Bonds2

About 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

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 (PubChem CID 177127912) has the molecular formula C42H25NO and a molecular weight of 559.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID177127912
Molecular FormulaC42H25NO
Molecular Weight559.67 g/mol
Exact Mass559.19
IUPAC Name5-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
SMILESc1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)-c2cccc5cccc(c25)O4)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C42H25NO/c1-2-10-29-25-39-35(22-28(29)9-1)34-23-30(18-20-38(34)43(39)37-16-6-11-26-8-3-4-14-32(26)37)31-19-21-40-36(24-31)33-15-5-12-27-13-7-17-41(44-40)42(27)33/h1-25H
InChIKeyOOKZUPSHRJCHIE-UHFFFAOYSA-N
XLogP11.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[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)phenyl]-5-phenylbenzo[b]carbazole
CID 170039373
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
12-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170044544
9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylbenzo[b]carbazole
CID 170037476
10-[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)phenyl]-7-phenylbenzo[c]carbazole
CID 170043573
[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
12-[4-[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)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170043148
7-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041070
10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041000
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
9-[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)phenyl]-7-phenylbenzo[c]carbazole
CID 170043038
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)-9H-carbazole
CID 148893383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)-c2cccc5cccc(c25)O4)ccc1n3-c1cccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is OOKZUPSHRJCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO/c1-2-10-29-25-39-35(22-28(29)9-1)34-23-30(18-20-38(34)43(39)37-16-6-11-26-8-3-4-14-32(26)37)31-19-21-40-36(24-31)33-15-5-12-27-13-7-17-41(44-40)42(27)33/h1-25H.
What are the key properties of 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?
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 has a molecular weight of 559.67 g/mol, XLogP of 11.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177127912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).