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

C50H42N2 — CID 142521150

IUPAC3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc12.CC
InChIInChI=1S/C48H36N2.C2H6/c1-3-41-42-31-37(23-28-46(42)49(45(41)4-2)39-18-12-7-13-19-39)38-24-29-48-44(32-38)43-30-36(34-16-10-6-11-17-34)22-27-47(43)50(48)40-25-20-35(21-26-40)33-14-8-5-9-15-33;1-2/h3-32H,1-2H3;1-2H3/b41-3-,45-4+;
InChIKeyKZFOEGNZGCFXBK-IEGYGRBESA-N
MW670.90 g/mol
LogP12.36
Rot. Bonds5

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

3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane (PubChem CID 142521150) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane.

Molecular Properties

Compound Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
PubChem CID142521150
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc12.CC
InChIInChI=1S/C48H36N2.C2H6/c1-3-41-42-31-37(23-28-46(42)49(45(41)4-2)39-18-12-7-13-19-39)38-24-29-48-44(32-38)43-30-36(34-16-10-6-11-17-34)22-27-47(43)50(48)40-25-20-35(21-26-40)33-14-8-5-9-15-33;1-2/h3-32H,1-2H3;1-2H3/b41-3-,45-4+;
InChIKeyKZFOEGNZGCFXBK-IEGYGRBESA-N
XLogP12.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 512.36
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]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
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
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane?
The IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane (CID 142521150) is 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane.
What is the SMILES notation for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane?
The canonical SMILES for 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc12.CC.
What is the InChIKey of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane?
The InChIKey is KZFOEGNZGCFXBK-IEGYGRBESA-N. The full InChI is InChI=1S/C48H36N2.C2H6/c1-3-41-42-31-37(23-28-46(42)49(45(41)4-2)39-18-12-7-13-19-39)38-24-29-48-44(32-38)43-30-36(34-16-10-6-11-17-34)22-27-47(43)50(48)40-25-20-35(21-26-40)33-14-8-5-9-15-33;1-2/h3-32H,1-2H3;1-2H3/b41-3-,45-4+;.
What are the key properties of 3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane?
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane has a molecular weight of 670.90 g/mol, XLogP of 12.36, 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]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane is sourced from PubChem (CID 142521150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).