3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C45H34N2 — CID 174182038

IUPAC3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCc1cccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C45H34N2/c1-29-8-7-11-37(24-29)47-43-21-13-31(3)26-39(43)41-28-35(17-23-45(41)47)34-16-22-44-40(27-34)38-25-30(2)12-20-42(38)46(44)36-18-14-33(15-19-36)32-9-5-4-6-10-32/h4-28H,1-3H3
InChIKeyVFRKAIIUPDZQCS-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.14
Rot. Bonds4

About 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 174182038) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID174182038
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCc1cccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C45H34N2/c1-29-8-7-11-37(24-29)47-43-21-13-31(3)26-39(43)41-28-35(17-23-45(41)47)34-16-22-44-40(27-34)38-25-30(2)12-20-42(38)46(44)36-18-14-33(15-19-36)32-9-5-4-6-10-32/h4-28H,1-3H3
InChIKeyVFRKAIIUPDZQCS-UHFFFAOYSA-N
XLogP12.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
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
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
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
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 174182038) is 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is Cc1cccc(-n2c3ccc(C)cc3c3cc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1.
What is the InChIKey of 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is VFRKAIIUPDZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-29-8-7-11-37(24-29)47-43-21-13-31(3)26-39(43)41-28-35(17-23-45(41)47)34-16-22-44-40(27-34)38-25-30(2)12-20-42(38)46(44)36-18-14-33(15-19-36)32-9-5-4-6-10-32/h4-28H,1-3H3.
What are the key properties of 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 602.78 g/mol, XLogP of 12.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 174182038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).