3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole

C48H36N2 — CID 142521068

IUPAC3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc12
InChIInChI=1S/C48H36N2/c1-3-41-42-31-37(25-28-46(42)49(45(41)4-2)39-16-10-6-11-17-39)38-26-29-48-44(32-38)43-30-36(24-27-47(43)50(48)40-18-12-7-13-19-40)35-22-20-34(21-23-35)33-14-8-5-9-15-33/h3-32H,1-2H3/b41-3-,45-4+
InChIKeyQDHRATDWCVLVMK-TVLFFOOTSA-N
MW640.83 g/mol
LogP11.33
Rot. Bonds5

About 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole

3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole (PubChem CID 142521068) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
PubChem CID142521068
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc12
InChIInChI=1S/C48H36N2/c1-3-41-42-31-37(25-28-46(42)49(45(41)4-2)39-16-10-6-11-17-39)38-26-29-48-44(32-38)43-30-36(24-27-47(43)50(48)40-18-12-7-13-19-40)35-22-20-34(21-23-35)33-14-8-5-9-15-33/h3-32H,1-2H3/b41-3-,45-4+
InChIKeyQDHRATDWCVLVMK-TVLFFOOTSA-N
XLogP11.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
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-[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-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
CID 164569486
N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130378130
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155470934
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole (CID 142521068) is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc12.
What is the InChIKey of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole?
The InChIKey is QDHRATDWCVLVMK-TVLFFOOTSA-N. The full InChI is InChI=1S/C48H36N2/c1-3-41-42-31-37(25-28-46(42)49(45(41)4-2)39-16-10-6-11-17-39)38-26-29-48-44(32-38)43-30-36(24-27-47(43)50(48)40-18-12-7-13-19-40)35-22-20-34(21-23-35)33-14-8-5-9-15-33/h3-32H,1-2H3/b41-3-,45-4+.
What are the key properties of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole?
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole has a molecular weight of 640.83 g/mol, XLogP of 11.33, 5 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-(4-phenylphenyl)carbazole is sourced from PubChem (CID 142521068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).