9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole

C32H24N2 — CID 67781407

IUPAC9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESc1cc(Cn2c3ccccc3c3ccccc32)cc(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H24N2/c1-5-16-29-25(12-1)26-13-2-6-17-30(26)33(29)21-23-10-9-11-24(20-23)22-34-31-18-7-3-14-27(31)28-15-4-8-19-32(28)34/h1-20H,21-22H2
InChIKeyPTQFVFBMMPHGEG-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.00
Rot. Bonds4

About 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole

9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole (PubChem CID 67781407) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
PubChem CID67781407
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
SMILESc1cc(Cn2c3ccccc3c3ccccc32)cc(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H24N2/c1-5-16-29-25(12-1)26-13-2-6-17-30(26)33(29)21-23-10-9-11-24(20-23)22-34-31-18-7-3-14-27(31)28-15-4-8-19-32(28)34/h1-20H,21-22H2
InChIKeyPTQFVFBMMPHGEG-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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Related Compounds

CID 21722
CID 21722
CID 22530
CID 22530
CID 42631003
CID 42631003
CID 6836
CID 6836
CID 15143
CID 15143
CID 4722579
CID 4722579
CID 77095
CID 77095
CID 15142
CID 15142
CID 70851
CID 70851
CID 73873
CID 73873
CID 135393502
CID 135393502
CID 146420
CID 146420

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole (CID 67781407) is 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole is c1cc(Cn2c3ccccc3c3ccccc32)cc(Cn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
The InChIKey is PTQFVFBMMPHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-5-16-29-25(12-1)26-13-2-6-17-30(26)33(29)21-23-10-9-11-24(20-23)22-34-31-18-7-3-14-27(31)28-15-4-8-19-32(28)34/h1-20H,21-22H2.
What are the key properties of 9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole?
9-[[3-(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-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole is sourced from PubChem (CID 67781407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).