9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole

C32H26N2 — CID 135741214

IUPAC9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESC1=CCc2c3c(n(Cc4ccc(Cn5c6ccccc6c6ccccc65)cc4)c2=C1)=CCC=C3
InChIInChI=1S/C32H26N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1-7,9-10,12-20H,8,11,21-22H2
InChIKeyHXDSMWMJDCQXPP-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.78
Rot. Bonds4

About 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole

9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole (PubChem CID 135741214) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole
PubChem CID135741214
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESC1=CCc2c3c(n(Cc4ccc(Cn5c6ccccc6c6ccccc65)cc4)c2=C1)=CCC=C3
InChIInChI=1S/C32H26N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1-7,9-10,12-20H,8,11,21-22H2
InChIKeyHXDSMWMJDCQXPP-UHFFFAOYSA-N
XLogP5.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dihydrocarbazol-9-yl)aniline
CID 135742580
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
9-[7-(2,5-dihydrocarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-2,5-dihydrocarbazole
CID 135742579
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
CID 123717884
9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
9-[(4-fluorophenyl)methyl]-1-(1-methyl-2H-pyridin-6-yl)pyrido[3,4-b]indole
CID 163451324
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole (CID 135741214) is 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole is C1=CCc2c3c(n(Cc4ccc(Cn5c6ccccc6c6ccccc65)cc4)c2=C1)=CCC=C3.
What is the InChIKey of 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole?
The InChIKey is HXDSMWMJDCQXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)33(29)21-23-17-19-24(20-18-23)22-34-31-15-7-3-11-27(31)28-12-4-8-16-32(28)34/h1-7,9-10,12-20H,8,11,21-22H2.
What are the key properties of 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole?
9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole has a molecular weight of 438.57 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole is sourced from PubChem (CID 135741214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).