7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole

C61H40N4 — CID 156574226

IUPAC7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole
SMILESC#C/C=C\c1c(C)c2ccccc2n1-c1ccc2c(c1)c1ccccc1n2-c1ccc#cc1-c1ccccc1-n1c2c(c3cc4c5ccccc5n(-c5ccccc5)c4cc31)C=CCC2
InChIInChI=1S/C61H40N4/c1-3-4-28-52-40(2)43-22-8-14-29-53(43)63(52)42-35-36-59-49(37-42)46-25-12-18-33-57(46)64(59)55-31-16-9-23-44(55)45-24-10-17-32-56(45)65-58-34-19-13-27-48(58)51-38-50-47-26-11-15-30-54(47)62(60(50)39-61(51)65)41-20-6-5-7-21-41/h1,4-8,10-18,20-22,24-33,35-39H,19,34H2,2H3/b28-4-
InChIKeyJPELCEPRCVTHNH-LPLQJDQISA-N
MW829.02 g/mol
LogP14.95
Rot. Bonds6

About 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole

7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole (PubChem CID 156574226) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole
PubChem CID156574226
Molecular FormulaC61H40N4
Molecular Weight829.02 g/mol
Exact Mass828.33
IUPAC Name7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole
SMILESC#C/C=C\c1c(C)c2ccccc2n1-c1ccc2c(c1)c1ccccc1n2-c1ccc#cc1-c1ccccc1-n1c2c(c3cc4c5ccccc5n(-c5ccccc5)c4cc31)C=CCC2
InChIInChI=1S/C61H40N4/c1-3-4-28-52-40(2)43-22-8-14-29-53(43)63(52)42-35-36-59-49(37-42)46-25-12-18-33-57(46)64(59)55-31-16-9-23-44(55)45-24-10-17-32-56(45)65-58-34-19-13-27-48(58)51-38-50-47-26-11-15-30-54(47)62(60(50)39-61(51)65)41-20-6-5-7-21-41/h1,4-8,10-18,20-22,24-33,35-39H,19,34H2,2H3/b28-4-
InChIKeyJPELCEPRCVTHNH-LPLQJDQISA-N
XLogP14.95
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole with MolForge

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Related Compounds

3-phenyl-9-[2-[2-(6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-3-yn-1-yl]carbazole
CID 170274572
3-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 170245611
2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170249532
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
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
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[5-[2-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]phenyl]-4-cyano-2-methylphenyl]phenyl]-5,6-dihydrocarbazole-4-carbonitrile
CID 155086200
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole (CID 156574226) is 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole is C#C/C=C\c1c(C)c2ccccc2n1-c1ccc2c(c1)c1ccccc1n2-c1ccc#cc1-c1ccccc1-n1c2c(c3cc4c5ccccc5n(-c5ccccc5)c4cc31)C=CCC2.
What is the InChIKey of 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The InChIKey is JPELCEPRCVTHNH-LPLQJDQISA-N. The full InChI is InChI=1S/C61H40N4/c1-3-4-28-52-40(2)43-22-8-14-29-53(43)63(52)42-35-36-59-49(37-42)46-25-12-18-33-57(46)64(59)55-31-16-9-23-44(55)45-24-10-17-32-56(45)65-58-34-19-13-27-48(58)51-38-50-47-26-11-15-30-54(47)62(60(50)39-61(51)65)41-20-6-5-7-21-41/h1,4-8,10-18,20-22,24-33,35-39H,19,34H2,2H3/b28-4-.
What are the key properties of 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole has a molecular weight of 829.02 g/mol, XLogP of 14.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-[3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]carbazol-9-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-5-phenyl-8,9-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 156574226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).