9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole

C56H42N2 — CID 162048953

IUPAC9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
SMILESCc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C31H23N.C25H19N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24;1-18-8-7-11-21(16-18)26-24-13-6-5-12-22(24)23-17-20(14-15-25(23)26)19-9-3-2-4-10-19/h2-21H,1H3;2-17H,1H3
InChIKeyYYHGCSVNPXNWLW-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.19
Rot. Bonds5

About 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole (PubChem CID 162048953) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
PubChem CID162048953
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
SMILESCc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C31H23N.C25H19N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24;1-18-8-7-11-21(16-18)26-24-13-6-5-12-22(24)23-17-20(14-15-25(23)26)19-9-3-2-4-10-19/h2-21H,1H3;2-17H,1H3
InChIKeyYYHGCSVNPXNWLW-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.19
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
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501118
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-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole?
The IUPAC name of 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole (CID 162048953) is 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole.
What is the SMILES notation for 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole?
The canonical SMILES for 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole is Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole?
The InChIKey is YYHGCSVNPXNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N.C25H19N/c1-22-9-8-14-27(19-22)32-30-17-15-25(23-10-4-2-5-11-23)20-28(30)29-21-26(16-18-31(29)32)24-12-6-3-7-13-24;1-18-8-7-11-21(16-18)26-24-13-6-5-12-22(24)23-17-20(14-15-25(23)26)19-9-3-2-4-10-19/h2-21H,1H3;2-17H,1H3.
What are the key properties of 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole?
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole has a molecular weight of 742.97 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole is sourced from PubChem (CID 162048953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).