9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole

C64H50N2S — CID 145328022

IUPAC9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC/C=c1/c2c(s/c1=C(/C)n1c3ccccc3c3ccc(C4=CC(c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)=CC(c5cccc6ccccc56)C4)cc31)C=CCC2
InChIInChI=1S/C64H50N2S/c1-3-51-57-23-11-14-27-63(57)67-64(51)41(2)65-59-25-12-9-21-54(59)56-34-30-46(40-62(56)65)48-36-47(37-49(38-48)53-24-15-19-44-18-7-8-20-52(44)53)45-31-35-61-58(39-45)55-22-10-13-26-60(55)66(61)50-32-28-43(29-33-50)42-16-5-4-6-17-42/h3-10,12,14-22,24-25,27-37,39-40,49H,11,13,23,26,38H2,1-2H3/b51-3-,64-41-
InChIKeyYQXVKATXNXJAPT-DIRGWFISSA-N
MW879.19 g/mol
LogP15.67
Rot. Bonds6

About 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole

9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 145328022) has the molecular formula C64H50N2S and a molecular weight of 879.19 g/mol. Its IUPAC name is 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID145328022
Molecular FormulaC64H50N2S
Molecular Weight879.19 g/mol
Exact Mass878.37
IUPAC Name9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC/C=c1/c2c(s/c1=C(/C)n1c3ccccc3c3ccc(C4=CC(c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)=CC(c5cccc6ccccc56)C4)cc31)C=CCC2
InChIInChI=1S/C64H50N2S/c1-3-51-57-23-11-14-27-63(57)67-64(51)41(2)65-59-25-12-9-21-54(59)56-34-30-46(40-62(56)65)48-36-47(37-49(38-48)53-24-15-19-44-18-7-8-20-52(44)53)45-31-35-61-58(39-45)55-22-10-13-26-60(55)66(61)50-32-28-43(29-33-50)42-16-5-4-6-17-42/h3-10,12,14-22,24-25,27-37,39-40,49H,11,13,23,26,38H2,1-2H3/b51-3-,64-41-
InChIKeyYQXVKATXNXJAPT-DIRGWFISSA-N
XLogP15.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.19
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole with MolForge

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Related Compounds

9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzofuran-2-ylidene]ethyl]-2-[3-phenyl-5-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]carbazole
CID 145328017
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
2-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-9-yl]-8-(3,5-diphenylphenyl)-5,10-diphenylphenazine
CID 164756522
9-(3,4,4a,9b-tetrahydrodibenzothiophen-2-yl)-2-[9-(3,5-diphenylphenyl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 166761992
2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 135143843

Frequently Asked Questions

What is the IUPAC name of 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole (CID 145328022) is 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole is C/C=c1/c2c(s/c1=C(/C)n1c3ccccc3c3ccc(C4=CC(c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)=CC(c5cccc6ccccc56)C4)cc31)C=CCC2.
What is the InChIKey of 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is YQXVKATXNXJAPT-DIRGWFISSA-N. The full InChI is InChI=1S/C64H50N2S/c1-3-51-57-23-11-14-27-63(57)67-64(51)41(2)65-59-25-12-9-21-54(59)56-34-30-46(40-62(56)65)48-36-47(37-49(38-48)53-24-15-19-44-18-7-8-20-52(44)53)45-31-35-61-58(39-45)55-22-10-13-26-60(55)66(61)50-32-28-43(29-33-50)42-16-5-4-6-17-42/h3-10,12,14-22,24-25,27-37,39-40,49H,11,13,23,26,38H2,1-2H3/b51-3-,64-41-.
What are the key properties of 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 879.19 g/mol, XLogP of 15.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1Z)-1-[(3Z)-3-ethylidene-4,5-dihydro-1-benzothiophen-2-ylidene]ethyl]-2-[5-naphthalen-1-yl-3-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 145328022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).