2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole

C57H41N3 — CID 146221459

IUPAC2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5Cc4ccccc4)cc(-c4ccc5c6ccccc6n(Cc6ccccc6)c5c4)c3)cc21
InChIInChI=1S/C57H41N3/c1-58-52-21-11-8-18-46(52)49-27-24-41(34-56(49)58)44-30-43(40-26-29-55-51(33-40)48-20-10-13-23-54(48)59(55)36-38-14-4-2-5-15-38)31-45(32-44)42-25-28-50-47-19-9-12-22-53(47)60(57(50)35-42)37-39-16-6-3-7-17-39/h2-35H,36-37H2,1H3
InChIKeySKAYCMPGMABPID-UHFFFAOYSA-N
MW767.98 g/mol
LogP14.64
Rot. Bonds7

About 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole

2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole (PubChem CID 146221459) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole.

Molecular Properties

Compound Name2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
PubChem CID146221459
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC Name2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5Cc4ccccc4)cc(-c4ccc5c6ccccc6n(Cc6ccccc6)c5c4)c3)cc21
InChIInChI=1S/C57H41N3/c1-58-52-21-11-8-18-46(52)49-27-24-41(34-56(49)58)44-30-43(40-26-29-55-51(33-40)48-20-10-13-23-54(48)59(55)36-38-14-4-2-5-15-38)31-45(32-44)42-25-28-50-47-19-9-12-22-53(47)60(57(50)35-42)37-39-16-6-3-7-17-39/h2-35H,36-37H2,1H3
InChIKeySKAYCMPGMABPID-UHFFFAOYSA-N
XLogP14.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
9-benzyl-3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethylcarbazole;3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-methylcarbazole;9-ethyl-3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 157304765
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-benzyl-3-(2,6-dipyridin-4-yl-4-pyridinyl)carbazole
CID 138115736
11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
CID 145108998
11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
CID 102393691
9-benzyl-2-bromocarbazole
CID 123133636
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221538
9-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157247282

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The IUPAC name of 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole (CID 146221459) is 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole.
What is the SMILES notation for 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The canonical SMILES for 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole is Cn1c2ccccc2c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5Cc4ccccc4)cc(-c4ccc5c6ccccc6n(Cc6ccccc6)c5c4)c3)cc21.
What is the InChIKey of 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The InChIKey is SKAYCMPGMABPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-58-52-21-11-8-18-46(52)49-27-24-41(34-56(49)58)44-30-43(40-26-29-55-51(33-40)48-20-10-13-23-54(48)59(55)36-38-14-4-2-5-15-38)31-45(32-44)42-25-28-50-47-19-9-12-22-53(47)60(57(50)35-42)37-39-16-6-3-7-17-39/h2-35H,36-37H2,1H3.
What are the key properties of 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole?
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole has a molecular weight of 767.98 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole is sourced from PubChem (CID 146221459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).