3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole

C54H39N3 — CID 144573357

IUPAC3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESC1=CCCC(n2c3ccccc3c3cc(C4C=c5c(c6ccccc6n5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)=CC4)ccc32)=C1
InChIInChI=1S/C54H39N3/c1-3-13-40(14-4-1)55-50-21-11-8-18-44(50)47-33-37(26-31-52(47)55)36-23-28-42(29-24-36)57-49-20-10-7-17-43(49)46-30-25-39(35-54(46)57)38-27-32-53-48(34-38)45-19-9-12-22-51(45)56(53)41-15-5-2-6-16-41/h1-5,7-15,17-24,26-35,39H,6,16,25H2
InChIKeyMACWVNUIEGKJCT-UHFFFAOYSA-N
MW729.93 g/mol
LogP12.44
Rot. Bonds5

About 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole

3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 144573357) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
PubChem CID144573357
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC Name3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESC1=CCCC(n2c3ccccc3c3cc(C4C=c5c(c6ccccc6n5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)=CC4)ccc32)=C1
InChIInChI=1S/C54H39N3/c1-3-13-40(14-4-1)55-50-21-11-8-18-44(50)47-33-37(26-31-52(47)55)36-23-28-42(29-24-36)57-49-20-10-7-17-43(49)46-30-25-39(35-54(46)57)38-27-32-53-48(34-38)45-19-9-12-22-51(45)56(53)41-15-5-2-6-16-41/h1-5,7-15,17-24,26-35,39H,6,16,25H2
InChIKeyMACWVNUIEGKJCT-UHFFFAOYSA-N
XLogP12.44
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole 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

3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-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 134442711
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole (CID 144573357) is 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole is C1=CCCC(n2c3ccccc3c3cc(C4C=c5c(c6ccccc6n5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)=CC4)ccc32)=C1.
What is the InChIKey of 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole?
The InChIKey is MACWVNUIEGKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-3-13-40(14-4-1)55-50-21-11-8-18-44(50)47-33-37(26-31-52(47)55)36-23-28-42(29-24-36)57-49-20-10-7-17-43(49)46-30-25-39(35-54(46)57)38-27-32-53-48(34-38)45-19-9-12-22-51(45)56(53)41-15-5-2-6-16-41/h1-5,7-15,17-24,26-35,39H,6,16,25H2.
What are the key properties of 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole?
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole has a molecular weight of 729.93 g/mol, XLogP of 12.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 144573357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).