3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole

C67H56N2 — CID 163537418

IUPAC3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
SMILESCc1cc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CCCCC4)cc3)c3cc(C)c(C)cc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CC=CC(C)C4)cc3)c2cc1C
InChIInChI=1S/C67H56N2/c1-41-14-13-17-53(34-41)69-63-21-12-10-19-55(63)57-40-51(31-33-65(57)69)47-24-28-49(29-25-47)67-60-37-44(4)42(2)35-58(60)66(59-36-43(3)45(5)38-61(59)67)48-26-22-46(23-27-48)50-30-32-64-56(39-50)54-18-9-11-20-62(54)68(64)52-15-7-6-8-16-52/h9-15,17-33,35-41H,6-8,16,34H2,1-5H3
InChIKeyDYEPEVJXWPFTDK-UHFFFAOYSA-N
MW889.20 g/mol
LogP18.96
Rot. Bonds6

About 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole

3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 163537418) has the molecular formula C67H56N2 and a molecular weight of 889.20 g/mol. Its IUPAC name is 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
PubChem CID163537418
Molecular FormulaC67H56N2
Molecular Weight889.20 g/mol
Exact Mass888.44
IUPAC Name3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
SMILESCc1cc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CCCCC4)cc3)c3cc(C)c(C)cc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CC=CC(C)C4)cc3)c2cc1C
InChIInChI=1S/C67H56N2/c1-41-14-13-17-53(34-41)69-63-21-12-10-19-55(63)57-40-51(31-33-65(57)69)47-24-28-49(29-25-47)67-60-37-44(4)42(2)35-58(60)66(59-36-43(3)45(5)38-61(59)67)48-26-22-46(23-27-48)50-30-32-64-56(39-50)54-18-9-11-20-62(54)68(64)52-15-7-6-8-16-52/h9-15,17-33,35-41H,6-8,16,34H2,1-5H3
InChIKeyDYEPEVJXWPFTDK-UHFFFAOYSA-N
XLogP18.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.20
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole with MolForge

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Related Compounds

3-[9-(5-butan-2-ylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 163810598
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166895445
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole?
The IUPAC name of 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole (CID 163537418) is 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole.
What is the SMILES notation for 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole?
The canonical SMILES for 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole is Cc1cc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CCCCC4)cc3)c3cc(C)c(C)cc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4=CC=CC(C)C4)cc3)c2cc1C.
What is the InChIKey of 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole?
The InChIKey is DYEPEVJXWPFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2/c1-41-14-13-17-53(34-41)69-63-21-12-10-19-55(63)57-40-51(31-33-65(57)69)47-24-28-49(29-25-47)67-60-37-44(4)42(2)35-58(60)66(59-36-43(3)45(5)38-61(59)67)48-26-22-46(23-27-48)50-30-32-64-56(39-50)54-18-9-11-20-62(54)68(64)52-15-7-6-8-16-52/h9-15,17-33,35-41H,6-8,16,34H2,1-5H3.
What are the key properties of 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole?
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole has a molecular weight of 889.20 g/mol, XLogP of 18.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 163537418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).