3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole

C51H38N2 — CID 142356487

IUPAC3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole
SMILESC=Cc1ccc2c(c1)c1c(n2-c2ccc3c4ccccc4c4ccccc4c3c2)CCC(C2=Cc3c(n(-c4ccccc4)c4ccc(C)cc34)CC2)=C1
InChIInChI=1S/C51H38N2/c1-3-33-18-24-49-45(28-33)47-30-35(34-19-25-50-46(29-34)44-27-32(2)17-23-48(44)52(50)36-11-5-4-6-12-36)20-26-51(47)53(49)37-21-22-42-40-15-8-7-13-38(40)39-14-9-10-16-41(39)43(42)31-37/h3-18,21-24,27-31H,1,19-20,25-26H2,2H3
InChIKeyKZYHVRLSJYQUKP-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.34
Rot. Bonds4

About 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole

3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole (PubChem CID 142356487) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole
PubChem CID142356487
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole
SMILESC=Cc1ccc2c(c1)c1c(n2-c2ccc3c4ccccc4c4ccccc4c3c2)CCC(C2=Cc3c(n(-c4ccccc4)c4ccc(C)cc34)CC2)=C1
InChIInChI=1S/C51H38N2/c1-3-33-18-24-49-45(28-33)47-30-35(34-19-25-50-46(29-34)44-27-32(2)17-23-48(44)52(50)36-11-5-4-6-12-36)20-26-51(47)53(49)37-21-22-42-40-15-8-7-13-38(40)39-14-9-10-16-41(39)43(42)31-37/h3-18,21-24,27-31H,1,19-20,25-26H2,2H3
InChIKeyKZYHVRLSJYQUKP-UHFFFAOYSA-N
XLogP13.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 139517794
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenyl-1,2-dihydrocarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155073664
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
9-dibenzothiophen-2-yl-3-ethenyl-6-(3-triphenylen-2-ylphenyl)carbazole
CID 139518027
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
3-[4-[2-[(1Z)-buta-1,3-dienyl]phenyl]-3-(2-methylphenyl)phenyl]-9-triphenylen-2-yl-1,2-dihydrocarbazole
CID 170137861

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole (CID 142356487) is 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole is C=Cc1ccc2c(c1)c1c(n2-c2ccc3c4ccccc4c4ccccc4c3c2)CCC(C2=Cc3c(n(-c4ccccc4)c4ccc(C)cc34)CC2)=C1.
What is the InChIKey of 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is KZYHVRLSJYQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-3-33-18-24-49-45(28-33)47-30-35(34-19-25-50-46(29-34)44-27-32(2)17-23-48(44)52(50)36-11-5-4-6-12-36)20-26-51(47)53(49)37-21-22-42-40-15-8-7-13-38(40)39-14-9-10-16-41(39)43(42)31-37/h3-18,21-24,27-31H,1,19-20,25-26H2,2H3.
What are the key properties of 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole?
3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 678.88 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethenyl-9-triphenylen-2-yl-1,2-dihydrocarbazol-3-yl)-6-methyl-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 142356487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).