3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole

C54H38N2 — CID 164569185

IUPAC3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)cc12
InChIInChI=1S/C54H38N2/c1-3-41-48-32-36(24-28-52(48)55(51(41)4-2)39-15-7-5-8-16-39)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-17-9-6-10-18-40)35-23-27-46-44-21-12-11-19-42(44)43-20-13-14-22-45(43)47(46)31-35/h3-34H,1-2H3/b41-3-,51-4+
InChIKeyIHDKAHRDKYKZFN-VDLQGSFASA-N
MW714.91 g/mol
LogP13.12
Rot. Bonds4

About 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole

3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole (PubChem CID 164569185) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
PubChem CID164569185
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)cc12
InChIInChI=1S/C54H38N2/c1-3-41-48-32-36(24-28-52(48)55(51(41)4-2)39-15-7-5-8-16-39)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-17-9-6-10-18-40)35-23-27-46-44-21-12-11-19-42(44)43-20-13-14-22-45(43)47(46)31-35/h3-34H,1-2H3/b41-3-,51-4+
InChIKeyIHDKAHRDKYKZFN-VDLQGSFASA-N
XLogP13.12
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
6-[3-[3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]carbazol-9-yl]-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]benzene-1,2,3,4,5-pentol
CID 153344471
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
CID 164569486
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole
CID 134364508
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
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
6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492358

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole?
The IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole (CID 164569185) is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc3n4-c3ccccc3)cc12.
What is the InChIKey of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole?
The InChIKey is IHDKAHRDKYKZFN-VDLQGSFASA-N. The full InChI is InChI=1S/C54H38N2/c1-3-41-48-32-36(24-28-52(48)55(51(41)4-2)39-15-7-5-8-16-39)38-26-30-54-50(34-38)49-33-37(25-29-53(49)56(54)40-17-9-6-10-18-40)35-23-27-46-44-21-12-11-19-42(44)43-20-13-14-22-45(43)47(46)31-35/h3-34H,1-2H3/b41-3-,51-4+.
What are the key properties of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole?
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole has a molecular weight of 714.91 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole is sourced from PubChem (CID 164569185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).