5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole

C41H28N2 — CID 138662748

IUPAC5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C41H28N2/c1-42-38-21-17-31(25-36(38)37-23-29-11-5-6-12-30(29)26-41(37)42)32-18-22-40-35(24-32)34-13-7-8-14-39(34)43(40)33-19-15-28(16-20-33)27-9-3-2-4-10-27/h2-26H,1H3
InChIKeyYSOCLIIADVBLCI-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.92
Rot. Bonds3

About 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole

5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole (PubChem CID 138662748) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
PubChem CID138662748
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C41H28N2/c1-42-38-21-17-31(25-36(38)37-23-29-11-5-6-12-30(29)26-41(37)42)32-18-22-40-35(24-32)34-13-7-8-14-39(34)43(40)33-19-15-28(16-20-33)27-9-3-2-4-10-27/h2-26H,1H3
InChIKeyYSOCLIIADVBLCI-UHFFFAOYSA-N
XLogP10.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
7-methyl-10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 138662741
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The IUPAC name of 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole (CID 138662748) is 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole is Cn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2c2cc3ccccc3cc21.
What is the InChIKey of 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
The InChIKey is YSOCLIIADVBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-42-38-21-17-31(25-36(38)37-23-29-11-5-6-12-30(29)26-41(37)42)32-18-22-40-35(24-32)34-13-7-8-14-39(34)43(40)33-19-15-28(16-20-33)27-9-3-2-4-10-27/h2-26H,1H3.
What are the key properties of 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole?
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole has a molecular weight of 548.69 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole is sourced from PubChem (CID 138662748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).