14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene

C34H27N5 — CID 59358829

IUPAC14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
SMILESCc1cc(C)c(-n2ncc3c4cc(Cn5c6ccccc6c6ccccc65)ccc4n4nccc4c32)c(C)c1
InChIInChI=1S/C34H27N5/c1-21-16-22(2)33(23(3)17-21)39-34-28(19-36-39)27-18-24(12-13-31(27)38-32(34)14-15-35-38)20-37-29-10-6-4-8-25(29)26-9-5-7-11-30(26)37/h4-19H,20H2,1-3H3
InChIKeyLKPIWFPMHJJSPG-UHFFFAOYSA-N
MW505.63 g/mol
LogP7.91
Rot. Bonds3

About 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene

14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene (PubChem CID 59358829) has the molecular formula C34H27N5 and a molecular weight of 505.63 g/mol. Its IUPAC name is 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene.

Molecular Properties

Compound Name14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
PubChem CID59358829
Molecular FormulaC34H27N5
Molecular Weight505.63 g/mol
Exact Mass505.23
IUPAC Name14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
SMILESCc1cc(C)c(-n2ncc3c4cc(Cn5c6ccccc6c6ccccc65)ccc4n4nccc4c32)c(C)c1
InChIInChI=1S/C34H27N5/c1-21-16-22(2)33(23(3)17-21)39-34-28(19-36-39)27-18-24(12-13-31(27)38-32(34)14-15-35-38)20-37-29-10-6-4-8-25(29)26-9-5-7-11-30(26)37/h4-19H,20H2,1-3H3
InChIKeyLKPIWFPMHJJSPG-UHFFFAOYSA-N
XLogP7.91
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene with MolForge

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Related Compounds

methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylindole;ethane
CID 91141046
12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole
CID 165083643
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
9-[2-[3-[2-(4,6-dimethylpyrazolo[1,5-f]phenanthridin-9-yl)ethynyl]phenyl]ethynyl]-4,6-dimethylpyrazolo[1,5-f]phenanthridine
CID 123817042
9-[(3-fluoro-4-iodophenyl)methyl]-N-[9-[(3-fluoro-4-iodophenyl)methyl]carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine
CID 147253254
14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 59358801
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214

Frequently Asked Questions

What is the IUPAC name of 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The IUPAC name of 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene (CID 59358829) is 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene.
What is the SMILES notation for 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The canonical SMILES for 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene is Cc1cc(C)c(-n2ncc3c4cc(Cn5c6ccccc6c6ccccc65)ccc4n4nccc4c32)c(C)c1.
What is the InChIKey of 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
The InChIKey is LKPIWFPMHJJSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5/c1-21-16-22(2)33(23(3)17-21)39-34-28(19-36-39)27-18-24(12-13-31(27)38-32(34)14-15-35-38)20-37-29-10-6-4-8-25(29)26-9-5-7-11-30(26)37/h4-19H,20H2,1-3H3.
What are the key properties of 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene?
14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene has a molecular weight of 505.63 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(carbazol-9-ylmethyl)-8-(2,4,6-trimethylphenyl)-2,3,8,9-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene is sourced from PubChem (CID 59358829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).