9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole

C43H31N — CID 157272513

IUPAC9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H31N/c1-3-9-33(10-4-1)35-23-25-36(26-24-35)34-19-15-31(16-20-34)29-32-17-21-37(22-18-32)38-27-28-43-41(30-38)40-13-7-8-14-42(40)44(43)39-11-5-2-6-12-39/h1-28,30H,29H2
InChIKeySSNOBMBZKGTOGK-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.38
Rot. Bonds6

About 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole

9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole (PubChem CID 157272513) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
PubChem CID157272513
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H31N/c1-3-9-33(10-4-1)35-23-25-36(26-24-35)34-19-15-31(16-20-34)29-32-17-21-37(22-18-32)38-27-28-43-41(30-38)40-13-7-8-14-42(40)44(43)39-11-5-2-6-12-39/h1-28,30H,29H2
InChIKeySSNOBMBZKGTOGK-UHFFFAOYSA-N
XLogP11.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole (CID 157272513) is 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(Cc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole?
The InChIKey is SSNOBMBZKGTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-3-9-33(10-4-1)35-23-25-36(26-24-35)34-19-15-31(16-20-34)29-32-17-21-37(22-18-32)38-27-28-43-41(30-38)40-13-7-8-14-42(40)44(43)39-11-5-2-6-12-39/h1-28,30H,29H2.
What are the key properties of 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole?
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole has a molecular weight of 561.73 g/mol, XLogP of 11.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole is sourced from PubChem (CID 157272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).