9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole

C44H33N — CID 88932452

IUPAC9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(C4=CC=C(c5c6ccccc6c(-c6ccccc6)c6ccccc56)CC4)cc23)CC1
InChIInChI=1S/C44H33N/c1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34/h1-11,13-21,23,25,27-29H,12,22,24,26H2
InChIKeyZPGZEMCMQMMFFL-UHFFFAOYSA-N
MW575.76 g/mol
LogP11.82
Rot. Bonds4

About 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole

9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole (PubChem CID 88932452) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
PubChem CID88932452
Molecular FormulaC44H33N
Molecular Weight575.76 g/mol
Exact Mass575.26
IUPAC Name9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(C4=CC=C(c5c6ccccc6c(-c6ccccc6)c6ccccc56)CC4)cc23)CC1
InChIInChI=1S/C44H33N/c1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34/h1-11,13-21,23,25,27-29H,12,22,24,26H2
InChIKeyZPGZEMCMQMMFFL-UHFFFAOYSA-N
XLogP11.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-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-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
3-[3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88905728
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole (CID 88932452) is 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccccc3)c3ccc(C4=CC=C(c5c6ccccc6c(-c6ccccc6)c6ccccc56)CC4)cc23)CC1.
What is the InChIKey of 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole?
The InChIKey is ZPGZEMCMQMMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N/c1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34/h1-11,13-21,23,25,27-29H,12,22,24,26H2.
What are the key properties of 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole?
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole has a molecular weight of 575.76 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 88932452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).