1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole

C49H41N — CID 144578962

IUPAC1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2ccccc12
InChIInChI=1S/C25H19N.C13H12.C11H10/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10/h2-17H,1H3;2-10H,1H3;2-8H,1H3
InChIKeyTXDSQANTJHLDHQ-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.57
Rot. Bonds3

About 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole

1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole (PubChem CID 144578962) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole
PubChem CID144578962
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2ccccc12
InChIInChI=1S/C25H19N.C13H12.C11H10/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10/h2-17H,1H3;2-10H,1H3;2-8H,1H3
InChIKeyTXDSQANTJHLDHQ-UHFFFAOYSA-N
XLogP13.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
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

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole?
The IUPAC name of 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole (CID 144578962) is 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole?
The canonical SMILES for 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc2ccccc12.
What is the InChIKey of 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole?
The InChIKey is TXDSQANTJHLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C13H12.C11H10/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10/h2-17H,1H3;2-10H,1H3;2-8H,1H3.
What are the key properties of 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole?
1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole has a molecular weight of 643.87 g/mol, XLogP of 13.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 144578962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).