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

C60H46N2O — CID 145328017

IUPAC9-[(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
SMILESC/C=c1/c2c(o/c1=C(/C)n1c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)c4)cc31)C=CCC2
InChIInChI=1S/C60H46N2O/c1-3-49-53-22-12-15-25-59(53)63-60(49)39(2)61-55-23-13-10-20-50(55)52-32-28-44(38-58(52)61)47-35-45(41-18-8-5-9-19-41)34-46(36-47)43-29-33-57-54(37-43)51-21-11-14-24-56(51)62(57)48-30-26-42(27-31-48)40-16-6-4-7-17-40/h3-11,13,15-21,23,25-38H,12,14,22,24H2,1-2H3/b49-3-,60-39-
InChIKeyAMJNNYFWDOZUQE-DTQRFAJKSA-N
MW811.04 g/mol
LogP14.40
Rot. Bonds6

About 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

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 (PubChem CID 145328017) has the molecular formula C60H46N2O and a molecular weight of 811.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[(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
PubChem CID145328017
Molecular FormulaC60H46N2O
Molecular Weight811.04 g/mol
Exact Mass810.36
IUPAC Name9-[(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
SMILESC/C=c1/c2c(o/c1=C(/C)n1c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)c4)cc31)C=CCC2
InChIInChI=1S/C60H46N2O/c1-3-49-53-22-12-15-25-59(53)63-60(49)39(2)61-55-23-13-10-20-50(55)52-32-28-44(38-58(52)61)47-35-45(41-18-8-5-9-19-41)34-46(36-47)43-29-33-57-54(37-43)51-21-11-14-24-56(51)62(57)48-30-26-42(27-31-48)40-16-6-4-7-17-40/h3-11,13,15-21,23,25-38H,12,14,22,24H2,1-2H3/b49-3-,60-39-
InChIKeyAMJNNYFWDOZUQE-DTQRFAJKSA-N
XLogP14.40
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.04
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
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
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=c1/c2c(o/c1=C(/C)n1c3ccccc3c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5c(n6-c6ccc(-c7ccccc7)cc6)CCC=C5)c4)cc31)C=CCC2.
What is the InChIKey of 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?
The InChIKey is AMJNNYFWDOZUQE-DTQRFAJKSA-N. The full InChI is InChI=1S/C60H46N2O/c1-3-49-53-22-12-15-25-59(53)63-60(49)39(2)61-55-23-13-10-20-50(55)52-32-28-44(38-58(52)61)47-35-45(41-18-8-5-9-19-41)34-46(36-47)43-29-33-57-54(37-43)51-21-11-14-24-56(51)62(57)48-30-26-42(27-31-48)40-16-6-4-7-17-40/h3-11,13,15-21,23,25-38H,12,14,22,24H2,1-2H3/b49-3-,60-39-.
What are the key properties of 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?
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 has a molecular weight of 811.04 g/mol, XLogP of 14.40, 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-benzofuran-2-ylidene]ethyl]-2-[3-phenyl-5-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 145328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).