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

C38H26N2 — CID 154980236

IUPAC10-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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2cc(C)cc4c5ccccc5n3c42)cc1
InChIInChI=1S/C38H26N2/c1-23-14-19-35-30(20-23)28-8-3-5-11-33(28)39(35)26-17-15-25(16-18-26)27-10-7-13-36-37(27)32-22-24(2)21-31-29-9-4-6-12-34(29)40(36)38(31)32/h3-22H,1-2H3
InChIKeyJMESQSFFIVIFTG-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.22
Rot. Bonds2

About 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

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 (PubChem CID 154980236) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID154980236
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name10-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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2cc(C)cc4c5ccccc5n3c42)cc1
InChIInChI=1S/C38H26N2/c1-23-14-19-35-30(20-23)28-8-3-5-11-33(28)39(35)26-17-15-25(16-18-26)27-10-7-13-36-37(27)32-22-24(2)21-31-29-9-4-6-12-34(29)40(36)38(31)32/h3-22H,1-2H3
InChIKeyJMESQSFFIVIFTG-UHFFFAOYSA-N
XLogP10.22
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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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
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10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2c2cc(C)cc4c5ccccc5n3c42)cc1.
What is the InChIKey of 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?
The InChIKey is JMESQSFFIVIFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-23-14-19-35-30(20-23)28-8-3-5-11-33(28)39(35)26-17-15-25(16-18-26)27-10-7-13-36-37(27)32-22-24(2)21-31-29-9-4-6-12-34(29)40(36)38(31)32/h3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 510.64 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154980236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).