9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole

C42H29N — CID 163741253

IUPAC9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(c2ccc3c4ccccc4c4ccccc4c3c2)C1
InChIInChI=1S/C42H29N/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43/h1-10,12-27,30H,11H2
InChIKeyLHYBVYNJPCOZMC-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.37
Rot. Bonds3

About 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole

9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole (PubChem CID 163741253) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
PubChem CID163741253
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(c2ccc3c4ccccc4c4ccccc4c3c2)C1
InChIInChI=1S/C42H29N/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43/h1-10,12-27,30H,11H2
InChIKeyLHYBVYNJPCOZMC-UHFFFAOYSA-N
XLogP11.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 170375920
9-[4-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]phenyl]carbazole
CID 166918955
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669
3-[9-[4-[2-(3-butylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 177063455
9-[4-carbazol-9-yl-2-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]phenyl]carbazole
CID 67950911
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 145327096
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole (CID 163741253) is 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole is C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(c2ccc3c4ccccc4c4ccccc4c3c2)C1.
What is the InChIKey of 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole?
The InChIKey is LHYBVYNJPCOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43/h1-10,12-27,30H,11H2.
What are the key properties of 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole?
9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole has a molecular weight of 547.70 g/mol, XLogP of 11.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]carbazole is sourced from PubChem (CID 163741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).