3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole

C48H36N2 — CID 167138282

IUPAC3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(c2)c2cc(C4CC=Cc5c4n(-c4ccccc4)c4ccc(-c6ccccc6)cc54)ccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C48H36N2/c1-5-14-33(15-6-1)35-25-28-47-42(30-35)41-23-13-22-40(48(41)50(47)39-20-11-4-12-21-39)37-26-29-46-44(32-37)43-31-36(34-16-7-2-8-17-34)24-27-45(43)49(46)38-18-9-3-10-19-38/h1,3-7,9-21,23-32,40H,2,8,22H2
InChIKeyWMCOIWYHZKWSBE-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.68
Rot. Bonds5

About 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole

3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole (PubChem CID 167138282) 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-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
PubChem CID167138282
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(c2)c2cc(C4CC=Cc5c4n(-c4ccccc4)c4ccc(-c6ccccc6)cc54)ccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C48H36N2/c1-5-14-33(15-6-1)35-25-28-47-42(30-35)41-23-13-22-40(48(41)50(47)39-20-11-4-12-21-39)37-26-29-46-44(32-37)43-31-36(34-16-7-2-8-17-34)24-27-45(43)49(46)38-18-9-3-10-19-38/h1,3-7,9-21,23-32,40H,2,8,22H2
InChIKeyWMCOIWYHZKWSBE-UHFFFAOYSA-N
XLogP12.68
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 ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069586
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;ethane
CID 177063272
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
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
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
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
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole (CID 167138282) is 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole is C1=CC(c2ccc3c(c2)c2cc(C4CC=Cc5c4n(-c4ccccc4)c4ccc(-c6ccccc6)cc54)ccc2n3-c2ccccc2)=CCC1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole?
The InChIKey is WMCOIWYHZKWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-14-33(15-6-1)35-25-28-47-42(30-35)41-23-13-22-40(48(41)50(47)39-20-11-4-12-21-39)37-26-29-46-44(32-37)43-31-36(34-16-7-2-8-17-34)24-27-45(43)49(46)38-18-9-3-10-19-38/h1,3-7,9-21,23-32,40H,2,8,22H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole?
3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole has a molecular weight of 640.83 g/mol, XLogP of 12.68, 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-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 167138282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).