9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole

C32H24N2 — CID 46882027

IUPAC9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C32H24N2/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/h1-20H,21-22H2
InChIKeyPMXVGOWDDWYYCG-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.00
Rot. Bonds4

About 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole

9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole (PubChem CID 46882027) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
PubChem CID46882027
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C32H24N2/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/h1-20H,21-22H2
InChIKeyPMXVGOWDDWYYCG-UHFFFAOYSA-N
XLogP8.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole (CID 46882027) is 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole is c1ccc2c(c1)c1ccccc1n2Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The InChIKey is PMXVGOWDDWYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/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/h1-20H,21-22H2.
What are the key properties of 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole has a molecular weight of 436.56 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(carbazol-9-ylmethyl)phenyl]methyl]carbazole is sourced from PubChem (CID 46882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).