3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole

C36H24N2 — CID 122652205

IUPAC3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-23,37H
InChIKeyRAFYTMQVEPNKKI-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.75
Rot. Bonds3

About 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole

3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 122652205) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
PubChem CID122652205
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-23,37H
InChIKeyRAFYTMQVEPNKKI-UHFFFAOYSA-N
XLogP9.75
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole (CID 122652205) is 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)[nH]c5ccccc56)ccc43)c2)cc1.
What is the InChIKey of 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is RAFYTMQVEPNKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)38-35-16-7-5-14-31(35)32-22-26(18-20-36(32)38)27-17-19-30-29-13-4-6-15-33(29)37-34(30)23-27/h1-23,37H.
What are the key properties of 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole?
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 484.60 g/mol, XLogP of 9.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 122652205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).