3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole

C44H32N2 — CID 146182046

IUPAC3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
SMILESCc1cccc(-n2c3ccc(C)cc3c3c(-c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc32)c1
InChIInChI=1S/C44H32N2/c1-29-12-8-17-34(26-29)45-41-25-24-30(2)27-39(41)43-35(19-11-23-42(43)45)31-13-9-14-32(28-31)36-20-10-21-38-37-18-6-7-22-40(37)46(44(36)38)33-15-4-3-5-16-33/h3-28H,1-2H3
InChIKeyDQOYPPNDXJZTQM-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.83
Rot. Bonds4

About 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole

3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole (PubChem CID 146182046) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
PubChem CID146182046
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
SMILESCc1cccc(-n2c3ccc(C)cc3c3c(-c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc32)c1
InChIInChI=1S/C44H32N2/c1-29-12-8-17-34(26-29)45-41-25-24-30(2)27-39(41)43-35(19-11-23-42(43)45)31-13-9-14-32(28-31)36-20-10-21-38-37-18-6-7-22-40(37)46(44(36)38)33-15-4-3-5-16-33/h3-28H,1-2H3
InChIKeyDQOYPPNDXJZTQM-UHFFFAOYSA-N
XLogP11.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 167193900
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
9-methyl-1-phenylcarbazole;9-methyl-1-(4-phenylphenyl)carbazole;9-[3-(3-methylphenyl)phenyl]carbazole;9-(3-methylphenyl)-1-(4-phenylphenyl)carbazole;9-(4-methylphenyl)-1-(4-phenylphenyl)carbazole
CID 161442751
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
1-methyl-5,9-diphenylcarbazole;1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;2-methyl-7,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-2,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;6-methyl-2,9-diphenylcarbazole
CID 161145028
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The IUPAC name of 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole (CID 146182046) is 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The canonical SMILES for 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole is Cc1cccc(-n2c3ccc(C)cc3c3c(-c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc32)c1.
What is the InChIKey of 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The InChIKey is DQOYPPNDXJZTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-29-12-8-17-34(26-29)45-41-25-24-30(2)27-39(41)43-35(19-11-23-42(43)45)31-13-9-14-32(28-31)36-20-10-21-38-37-18-6-7-22-40(37)46(44(36)38)33-15-4-3-5-16-33/h3-28H,1-2H3.
What are the key properties of 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole?
3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole has a molecular weight of 588.75 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 146182046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).