7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

C48H42N2 — CID 138613805

IUPAC7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2C3=C(CCC(C4C=C(c5ccc6c(c5)N(c5ccccc5)C5C=CC=CC65)C=CC4)=C3)N(c3ccc(C4=CCCC=C4)cc3)C2C=C1
InChIInChI=1S/C48H42N2/c1-3-12-33(13-4-1)34-22-26-40(27-23-34)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)35-14-11-15-36(30-35)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)39-16-5-2-6-17-39/h2-3,5-13,15-24,26-28,30-32,35,41-42,45-46H,1,4,14,25,29H2
InChIKeyZWJHVGKRXPXNAW-UHFFFAOYSA-N
MW646.88 g/mol
LogP11.71
Rot. Bonds5

About 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole

7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 138613805) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID138613805
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2C3=C(CCC(C4C=C(c5ccc6c(c5)N(c5ccccc5)C5C=CC=CC65)C=CC4)=C3)N(c3ccc(C4=CCCC=C4)cc3)C2C=C1
InChIInChI=1S/C48H42N2/c1-3-12-33(13-4-1)34-22-26-40(27-23-34)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)35-14-11-15-36(30-35)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)39-16-5-2-6-17-39/h2-3,5-13,15-24,26-28,30-32,35,41-42,45-46H,1,4,14,25,29H2
InChIKeyZWJHVGKRXPXNAW-UHFFFAOYSA-N
XLogP11.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole with MolForge

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Related Compounds

4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 167211102
9-[5-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]carbazole
CID 154971966
7-[3-(9-cyclohexa-1,3-dien-1-yl-9H-fluoren-3-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-4a,9a-dihydrocarbazole
CID 144640484
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
9-[9-(4a,9a-dihydrocarbazol-9-yl)-3-cyclohexa-1,5-dien-1-yl-2-phenylphenanthro[9,10-b]furan-6-yl]carbazole
CID 87278969
9-[4-[4-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]phenyl]phenyl]-1-[9-(3-phenylphenyl)-4,4a,4b,8a-tetrahydrocarbazol-4-yl]carbazole
CID 154974976

Frequently Asked Questions

What is the IUPAC name of 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole (CID 138613805) is 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is C1=CC2C3=C(CCC(C4C=C(c5ccc6c(c5)N(c5ccccc5)C5C=CC=CC65)C=CC4)=C3)N(c3ccc(C4=CCCC=C4)cc3)C2C=C1.
What is the InChIKey of 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is ZWJHVGKRXPXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-3-12-33(13-4-1)34-22-26-40(27-23-34)49-46-21-10-8-19-42(46)44-31-37(25-29-47(44)49)35-14-11-15-36(30-35)38-24-28-43-41-18-7-9-20-45(41)50(48(43)32-38)39-16-5-2-6-17-39/h2-3,5-13,15-24,26-28,30-32,35,41-42,45-46H,1,4,14,25,29H2.
What are the key properties of 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole?
7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 646.88 g/mol, XLogP of 11.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,4b,8a-tetrahydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 138613805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).