9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole

C52H48N2 — CID 169037182

IUPAC9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole
SMILESC1=CCCC(C2=C(n3c4c(c5cc(C6C=C7C8=C(CCC=C8)N([C@H]8CC=Cc9ccccc98)C7CC6)ccc53)C=CCC4)[C@H](c3ccccc3)CC=C2)=C1
InChIInChI=1S/C52H48N2/c1-3-15-36(16-4-1)41-24-14-25-42(37-17-5-2-6-18-37)52(41)54-49-27-12-10-23-44(49)46-34-39(30-32-51(46)54)38-29-31-50-45(33-38)43-22-9-11-26-48(43)53(50)47-28-13-20-35-19-7-8-21-40(35)47/h1-5,7-10,13-17,19-23,25,30,32-34,38,41,47,50H,6,11-12,18,24,26-29,31H2/t38?,41-,47-,50?/m0/s1
InChIKeyWQMBJLDVKAMAIJ-FOWCVIPTSA-N
MW700.97 g/mol
LogP13.08
Rot. Bonds5

About 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole

9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole (PubChem CID 169037182) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole
PubChem CID169037182
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC Name9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole
SMILESC1=CCCC(C2=C(n3c4c(c5cc(C6C=C7C8=C(CCC=C8)N([C@H]8CC=Cc9ccccc98)C7CC6)ccc53)C=CCC4)[C@H](c3ccccc3)CC=C2)=C1
InChIInChI=1S/C52H48N2/c1-3-15-36(16-4-1)41-24-14-25-42(37-17-5-2-6-18-37)52(41)54-49-27-12-10-23-44(49)46-34-39(30-32-51(46)54)38-29-31-50-45(33-38)43-22-9-11-26-48(43)53(50)47-28-13-20-35-19-7-8-21-40(35)47/h1-5,7-10,13-17,19-23,25,30,32-34,38,41,47,50H,6,11-12,18,24,26-29,31H2/t38?,41-,47-,50?/m0/s1
InChIKeyWQMBJLDVKAMAIJ-FOWCVIPTSA-N
XLogP13.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole with MolForge

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Related Compounds

3-[9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(9,9-dimethyl-4a,9a-dihydrofluoren-1-yl)-2,3-dihydrocarbazole
CID 169037156
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-4-yl-7,8-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163576681
6-[9-[(1S)-4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrocarbazol-3-yl]-9-(4-phenylphenyl)-1,2,6,7-tetrahydrocarbazole
CID 169037522
15-cyclohexa-1,3-dien-1-yl-25-phenyl-15,25-diaza-11-azanidaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20-undecaene
CID 163631036
6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole
CID 174103942
9-cyclohexa-1,3-dien-1-yl-3-[9-(9,9-dimethyl-1,2,3,4,7,8-hexahydrofluoren-3-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 169036980
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
CID 142352784
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
CID 142505029

Frequently Asked Questions

What is the IUPAC name of 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole (CID 169037182) is 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole is C1=CCCC(C2=C(n3c4c(c5cc(C6C=C7C8=C(CCC=C8)N([C@H]8CC=Cc9ccccc98)C7CC6)ccc53)C=CCC4)[C@H](c3ccccc3)CC=C2)=C1.
What is the InChIKey of 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
The InChIKey is WQMBJLDVKAMAIJ-FOWCVIPTSA-N. The full InChI is InChI=1S/C52H48N2/c1-3-15-36(16-4-1)41-24-14-25-42(37-17-5-2-6-18-37)52(41)54-49-27-12-10-23-44(49)46-34-39(30-32-51(46)54)38-29-31-50-45(33-38)43-22-9-11-26-48(43)53(50)47-28-13-20-35-19-7-8-21-40(35)47/h1-5,7-10,13-17,19-23,25,30,32-34,38,41,47,50H,6,11-12,18,24,26-29,31H2/t38?,41-,47-,50?/m0/s1.
What are the key properties of 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole?
9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole has a molecular weight of 700.97 g/mol, XLogP of 13.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6S)-2-cyclohexa-1,3-dien-1-yl-6-phenylcyclohexa-1,3-dien-1-yl]-6-[9-[(1S)-1,2-dihydronaphthalen-1-yl]-1,2,3,7,8,9a-hexahydrocarbazol-3-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 169037182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).