9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole

C57H55N — CID 144578678

IUPAC9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole
SMILESC/C=C\C1=C(CC)C(C)(C)c2ccc(-c3cccc(-c4ccc(-n5c6c(c7cc(-c8ccccc8)ccc75)C=C(c5ccccc5)CC6)cc4)c3C(C)CC)c(C)c21
InChIInChI=1S/C57H55N/c1-8-18-48-51(10-3)57(6,7)52-32-31-45(38(5)56(48)52)47-24-17-23-46(55(47)37(4)9-2)41-25-29-44(30-26-41)58-53-33-27-42(39-19-13-11-14-20-39)35-49(53)50-36-43(28-34-54(50)58)40-21-15-12-16-22-40/h8,11-27,29-33,35-37H,9-10,28,34H2,1-7H3/b18-8-
InChIKeyYGBCQDYVJVAEHC-LSCVHKIXSA-N
MW754.07 g/mol
LogP15.97
Rot. Bonds9

About 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole

9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole (PubChem CID 144578678) has the molecular formula C57H55N and a molecular weight of 754.07 g/mol. Its IUPAC name is 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole
PubChem CID144578678
Molecular FormulaC57H55N
Molecular Weight754.07 g/mol
Exact Mass753.43
IUPAC Name9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole
SMILESC/C=C\C1=C(CC)C(C)(C)c2ccc(-c3cccc(-c4ccc(-n5c6c(c7cc(-c8ccccc8)ccc75)C=C(c5ccccc5)CC6)cc4)c3C(C)CC)c(C)c21
InChIInChI=1S/C57H55N/c1-8-18-48-51(10-3)57(6,7)52-32-31-45(38(5)56(48)52)47-24-17-23-46(55(47)37(4)9-2)41-25-29-44(30-26-41)58-53-33-27-42(39-19-13-11-14-20-39)35-49(53)50-36-43(28-34-54(50)58)40-21-15-12-16-22-40/h8,11-27,29-33,35-37H,9-10,28,34H2,1-7H3/b18-8-
InChIKeyYGBCQDYVJVAEHC-LSCVHKIXSA-N
XLogP15.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.07
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole 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-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
6-(3-methyl-4-phenylphenyl)-N-naphthalen-1-yl-9-phenyl-N-[9-phenyl-6-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]-7,8-dihydrocarbazol-3-amine
CID 143516099
9,9-dimethyl-N-[4-[3-methyl-1-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-N-phenylfluoren-2-amine
CID 139334521
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 146568181
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
4-[6-(4-butan-2-ylphenyl)-9-(4-methylphenyl)carbazol-3-yl]-N,N-diphenylaniline;4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159054745
N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327
3-[5-butan-2-yl-9,9-dimethyl-6-(2-methylcyclohexa-1,3-dien-1-yl)fluoren-3-yl]-9-[1-[(Z)-but-1-enyl]-2,3,3-trimethylinden-5-yl]-6-(2-methylphenyl)carbazole;ethane
CID 144578893
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole
CID 144825892
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614223

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole?
The IUPAC name of 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole (CID 144578678) is 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole?
The canonical SMILES for 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole is C/C=C\C1=C(CC)C(C)(C)c2ccc(-c3cccc(-c4ccc(-n5c6c(c7cc(-c8ccccc8)ccc75)C=C(c5ccccc5)CC6)cc4)c3C(C)CC)c(C)c21.
What is the InChIKey of 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole?
The InChIKey is YGBCQDYVJVAEHC-LSCVHKIXSA-N. The full InChI is InChI=1S/C57H55N/c1-8-18-48-51(10-3)57(6,7)52-32-31-45(38(5)56(48)52)47-24-17-23-46(55(47)37(4)9-2)41-25-29-44(30-26-41)58-53-33-27-42(39-19-13-11-14-20-39)35-49(53)50-36-43(28-34-54(50)58)40-21-15-12-16-22-40/h8,11-27,29-33,35-37H,9-10,28,34H2,1-7H3/b18-8-.
What are the key properties of 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole?
9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole has a molecular weight of 754.07 g/mol, XLogP of 15.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-butan-2-yl-3-[2-ethyl-1,1,4-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-3,6-diphenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 144578678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).