9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

C44H33N — CID 166969507

IUPAC9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(c5ccccc5c3c2)C=CCC4)ccc1C
InChIInChI=1S/C44H33N/c1-28-11-3-4-12-33(28)40-25-30(20-19-29(40)2)31-21-24-44-42(26-31)39-17-9-10-18-43(39)45(44)32-22-23-38-36-15-6-5-13-34(36)35-14-7-8-16-37(35)41(38)27-32/h3-5,7-14,16-27H,6,15H2,1-2H3
InChIKeyVWLBWMUKPQFBGU-UHFFFAOYSA-N
MW575.76 g/mol
LogP12.00
Rot. Bonds3

About 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (PubChem CID 166969507) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
PubChem CID166969507
Molecular FormulaC44H33N
Molecular Weight575.76 g/mol
Exact Mass575.26
IUPAC Name9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(c5ccccc5c3c2)C=CCC4)ccc1C
InChIInChI=1S/C44H33N/c1-28-11-3-4-12-33(28)40-25-30(20-19-29(40)2)31-21-24-44-42(26-31)39-17-9-10-18-43(39)45(44)32-22-23-38-36-15-6-5-13-34(36)35-14-7-8-16-37(35)41(38)27-32/h3-5,7-14,16-27H,6,15H2,1-2H3
InChIKeyVWLBWMUKPQFBGU-UHFFFAOYSA-N
XLogP12.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 131969747
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
3-(5,6-dihydrotriphenylen-2-yl)-9-(9,9-dimethyl-21-oxapentacyclo[11.8.0.02,10.03,8.014,20]henicosa-1(13),2(10),3(8),4,6,11,14(20),18-octaen-6-yl)carbazole;ethane
CID 144578540
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-[2-butan-2-yl-3-(2-methylphenyl)phenyl]-9-triphenylen-2-ylcarbazole
CID 144803336
9-dibenzofuran-2-yl-3-[4-methyl-3,5-bis(2-methylphenyl)phenyl]carbazole
CID 156734886
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The IUPAC name of 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (CID 166969507) is 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(c5ccccc5c3c2)C=CCC4)ccc1C.
What is the InChIKey of 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
The InChIKey is VWLBWMUKPQFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N/c1-28-11-3-4-12-33(28)40-25-30(20-19-29(40)2)31-21-24-44-42(26-31)39-17-9-10-18-43(39)45(44)32-22-23-38-36-15-6-5-13-34(36)35-14-7-8-16-37(35)41(38)27-32/h3-5,7-14,16-27H,6,15H2,1-2H3.
What are the key properties of 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole has a molecular weight of 575.76 g/mol, XLogP of 12.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 166969507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).