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

C50H42N2 — CID 142521163

IUPAC3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc12.CC
InChIInChI=1S/C48H36N2.C2H6/c1-3-41-43-31-37(25-27-47(43)49(45(41)4-2)39-21-13-19-35(29-39)33-15-7-5-8-16-33)38-26-28-48-44(32-38)42-23-11-12-24-46(42)50(48)40-22-14-20-36(30-40)34-17-9-6-10-18-34;1-2/h3-32H,1-2H3;1-2H3/b41-3-,45-4+;
InChIKeyKSXIQHZTTIUGTG-IEGYGRBESA-N
MW670.90 g/mol
LogP12.36
Rot. Bonds5

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

3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane (PubChem CID 142521163) 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-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane.

Molecular Properties

Compound Name3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
PubChem CID142521163
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
SMILESC/C=c1\c(=C/C)n(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc12.CC
InChIInChI=1S/C48H36N2.C2H6/c1-3-41-43-31-37(25-27-47(43)49(45(41)4-2)39-21-13-19-35(29-39)33-15-7-5-8-16-33)38-26-28-48-44(32-38)42-23-11-12-24-46(42)50(48)40-22-14-20-36(30-40)34-17-9-6-10-18-34;1-2/h3-32H,1-2H3;1-2H3/b41-3-,45-4+;
InChIKeyKSXIQHZTTIUGTG-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]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
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]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
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
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane?
The IUPAC name of 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane (CID 142521163) is 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane.
What is the SMILES notation for 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane?
The canonical SMILES for 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane is C/C=c1\c(=C/C)n(-c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)cc12.CC.
What is the InChIKey of 3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane?
The InChIKey is KSXIQHZTTIUGTG-IEGYGRBESA-N. The full InChI is InChI=1S/C48H36N2.C2H6/c1-3-41-43-31-37(25-27-47(43)49(45(41)4-2)39-21-13-19-35(29-39)33-15-7-5-8-16-33)38-26-28-48-44(32-38)42-23-11-12-24-46(42)50(48)40-22-14-20-36(30-40)34-17-9-6-10-18-34;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-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane?
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-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-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane is sourced from PubChem (CID 142521163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).