3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole

C43H33N — CID 154968536

IUPAC3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc2ccccc2c1
InChIInChI=1S/C43H33N/c1-29-12-6-9-17-37(29)40-27-34(22-24-38(40)30(2)32-21-20-31-13-7-8-14-33(31)26-32)35-23-25-43-41(28-35)39-18-10-11-19-42(39)44(43)36-15-4-3-5-16-36/h3-28,30H,1-2H3
InChIKeyQWBZAAIQFMBXAA-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.73
Rot. Bonds5

About 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole

3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole (PubChem CID 154968536) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole
PubChem CID154968536
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc2ccccc2c1
InChIInChI=1S/C43H33N/c1-29-12-6-9-17-37(29)40-27-34(22-24-38(40)30(2)32-21-20-31-13-7-8-14-33(31)26-32)35-23-25-43-41(28-35)39-18-10-11-19-42(39)44(43)36-15-4-3-5-16-36/h3-28,30H,1-2H3
InChIKeyQWBZAAIQFMBXAA-UHFFFAOYSA-N
XLogP11.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[4-[1-[2-(2-methylphenyl)phenyl]ethyl]phenyl]phenyl]carbazole
CID 143485789
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(2-propan-2-ylphenyl)carbazole
CID 123284746
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
3-[4-methyl-3-[2-(1-phenanthren-9-ylethyl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 167292993
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole (CID 154968536) is 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc2ccccc2c1.
What is the InChIKey of 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole?
The InChIKey is QWBZAAIQFMBXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-29-12-6-9-17-37(29)40-27-34(22-24-38(40)30(2)32-21-20-31-13-7-8-14-33(31)26-32)35-23-25-43-41(28-35)39-18-10-11-19-42(39)44(43)36-15-4-3-5-16-36/h3-28,30H,1-2H3.
What are the key properties of 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole?
3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole has a molecular weight of 563.74 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-4-(1-naphthalen-2-ylethyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 154968536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).