6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C38H26N2O — CID 164795219

IUPAC6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2c2cccc4c2n3-c2ccccc2O4)cc1
InChIInChI=1S/C38H26N2O/c1-23-13-19-31-29(21-23)30-22-24(2)14-20-32(30)39(31)26-17-15-25(16-18-26)27-7-5-10-34-37(27)28-8-6-12-36-38(28)40(34)33-9-3-4-11-35(33)41-36/h3-22H,1-2H3
InChIKeyFTIOORGVQXPKPZ-UHFFFAOYSA-N
MW526.64 g/mol
LogP10.27
Rot. Bonds2

About 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795219) has the molecular formula C38H26N2O and a molecular weight of 526.64 g/mol. Its IUPAC name is 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID164795219
Molecular FormulaC38H26N2O
Molecular Weight526.64 g/mol
Exact Mass526.20
IUPAC Name6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2c2cccc4c2n3-c2ccccc2O4)cc1
InChIInChI=1S/C38H26N2O/c1-23-13-19-31-29(21-23)30-22-24(2)14-20-32(30)39(31)26-17-15-25(16-18-26)27-7-5-10-34-37(27)28-8-6-12-36-38(28)40(34)33-9-3-4-11-35(33)41-36/h3-22H,1-2H3
InChIKeyFTIOORGVQXPKPZ-UHFFFAOYSA-N
XLogP10.27
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

6-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795181
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795331
9-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 164795626
9-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 164795287
10-methyl-6-[4-(3-methylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 154980236
5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967970
9-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-N,N,6-triphenylcarbazol-3-amine
CID 164795463
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 142724935
3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795543
5-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795334

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795219) is 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2c2cccc4c2n3-c2ccccc2O4)cc1.
What is the InChIKey of 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is FTIOORGVQXPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O/c1-23-13-19-31-29(21-23)30-22-24(2)14-20-32(30)39(31)26-17-15-25(16-18-26)27-7-5-10-34-37(27)28-8-6-12-36-38(28)40(34)33-9-3-4-11-35(33)41-36/h3-22H,1-2H3.
What are the key properties of 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 526.64 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).