6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane

C77H68N4 — CID 144990302

IUPAC6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane
SMILESC/C=C\C=C1/c2ccccc2-c2c(cc(-c3ccc4c(c3)c3cc(N(C5=CC=CCC5)c5ccccc5)ccc3n4C3=CC=CCC3)c3ccccc23)N1c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC.CC
InChIInChI=1S/C73H56N4.2C2H6/c1-2-3-37-69-63-34-20-22-36-65(63)73-64-35-21-19-33-62(64)66(50-72(73)77(69)60-42-39-51-46-59(41-38-52(51)47-60)74(54-23-9-4-10-24-54)55-25-11-5-12-26-55)53-40-44-70-67(48-53)68-49-61(43-45-71(68)76(70)58-31-17-8-18-32-58)75(56-27-13-6-14-28-56)57-29-15-7-16-30-57;2*1-2/h2-15,17,19-29,31,33-50H,16,18,30,32H2,1H3;2*1-2H3/b3-2-,69-37+;;
InChIKeyDGJZYPJKVBUKPG-IJAWWUBXSA-N
MW1049.42 g/mol
LogP22.59
Rot. Bonds10

About 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane

6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane (PubChem CID 144990302) has the molecular formula C77H68N4 and a molecular weight of 1049.42 g/mol. Its IUPAC name is 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane.

Molecular Properties

Compound Name6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane
PubChem CID144990302
Molecular FormulaC77H68N4
Molecular Weight1049.42 g/mol
Exact Mass1048.54
IUPAC Name6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane
SMILESC/C=C\C=C1/c2ccccc2-c2c(cc(-c3ccc4c(c3)c3cc(N(C5=CC=CCC5)c5ccccc5)ccc3n4C3=CC=CCC3)c3ccccc23)N1c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC.CC
InChIInChI=1S/C73H56N4.2C2H6/c1-2-3-37-69-63-34-20-22-36-65(63)73-64-35-21-19-33-62(64)66(50-72(73)77(69)60-42-39-51-46-59(41-38-52(51)47-60)74(54-23-9-4-10-24-54)55-25-11-5-12-26-55)53-40-44-70-67(48-53)68-49-61(43-45-71(68)76(70)58-31-17-8-18-32-58)75(56-27-13-6-14-28-56)57-29-15-7-16-30-57;2*1-2/h2-15,17,19-29,31,33-50H,16,18,30,32H2,1H3;2*1-2H3/b3-2-,69-37+;;
InChIKeyDGJZYPJKVBUKPG-IJAWWUBXSA-N
XLogP22.59
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.42
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane with MolForge

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Related Compounds

6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine
CID 144990303
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
5-cyclohexa-1,3-dien-1-yl-11-methyl-2-N,2-N,9-N,9-N-tetraphenyl-11H-indeno[1,2-b]carbazole-2,9-diamine
CID 70866431
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 71016335
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
CID 144831039
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589

Frequently Asked Questions

What is the IUPAC name of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane?
The IUPAC name of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane (CID 144990302) is 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane.
What is the SMILES notation for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane?
The canonical SMILES for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane is C/C=C\C=C1/c2ccccc2-c2c(cc(-c3ccc4c(c3)c3cc(N(C5=CC=CCC5)c5ccccc5)ccc3n4C3=CC=CCC3)c3ccccc23)N1c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2c1.CC.CC.
What is the InChIKey of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane?
The InChIKey is DGJZYPJKVBUKPG-IJAWWUBXSA-N. The full InChI is InChI=1S/C73H56N4.2C2H6/c1-2-3-37-69-63-34-20-22-36-65(63)73-64-35-21-19-33-62(64)66(50-72(73)77(69)60-42-39-51-46-59(41-38-52(51)47-60)74(54-23-9-4-10-24-54)55-25-11-5-12-26-55)53-40-44-70-67(48-53)68-49-61(43-45-71(68)76(70)58-31-17-8-18-32-58)75(56-27-13-6-14-28-56)57-29-15-7-16-30-57;2*1-2/h2-15,17,19-29,31,33-50H,16,18,30,32H2,1H3;2*1-2H3/b3-2-,69-37+;;.
What are the key properties of 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane?
6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane has a molecular weight of 1049.42 g/mol, XLogP of 22.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5E)-5-[(Z)-but-2-enylidene]-6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[a]phenanthridin-8-yl]-N,9-di(cyclohexa-1,3-dien-1-yl)-N-phenylcarbazol-3-amine;ethane is sourced from PubChem (CID 144990302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).