3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole

C48H36N2 — CID 170002276

IUPAC3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
SMILESC1=CCC(c2ccc3c(c2)c2c(-c4cccc5c4c4cc(C6=CCCC=C6)ccc4n5-c4ccccc4)cccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C48H36N2/c1-5-15-33(16-6-1)35-27-29-43-41(31-35)47-39(23-13-25-45(47)49(43)37-19-9-3-10-20-37)40-24-14-26-46-48(40)42-32-36(34-17-7-2-8-18-34)28-30-44(42)50(46)38-21-11-4-12-22-38/h1,3-7,9-15,17-33H,2,8,16H2
InChIKeyGBDUOHMVAXIDSY-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.88
Rot. Bonds5

About 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole

3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole (PubChem CID 170002276) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
PubChem CID170002276
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
SMILESC1=CCC(c2ccc3c(c2)c2c(-c4cccc5c4c4cc(C6=CCCC=C6)ccc4n5-c4ccccc4)cccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C48H36N2/c1-5-15-33(16-6-1)35-27-29-43-41(31-35)47-39(23-13-25-45(47)49(43)37-19-9-3-10-20-37)40-24-14-26-46-48(40)42-32-36(34-17-7-2-8-18-34)28-30-44(42)50(46)38-21-11-4-12-22-38/h1,3-7,9-15,17-33H,2,8,16H2
InChIKeyGBDUOHMVAXIDSY-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-carbazol-9-yl-9-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 177276951
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
CID 138723851
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195742
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
CID 167138282
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)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 177063273
24-(3-cyclohexa-1,5-dien-1-ylphenyl)-6,10-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene;ethane
CID 144604490

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole (CID 170002276) is 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole is C1=CCC(c2ccc3c(c2)c2c(-c4cccc5c4c4cc(C6=CCCC=C6)ccc4n5-c4ccccc4)cccc2n3-c2ccccc2)C=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole?
The InChIKey is GBDUOHMVAXIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-15-33(16-6-1)35-27-29-43-41(31-35)47-39(23-13-25-45(47)49(43)37-19-9-3-10-20-37)40-24-14-26-46-48(40)42-32-36(34-17-7-2-8-18-34)28-30-44(42)50(46)38-21-11-4-12-22-38/h1,3-7,9-15,17-33H,2,8,16H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole?
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole has a molecular weight of 640.83 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 170002276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).