ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine

C55H48N2 — CID 145362335

IUPACethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine
SMILESC=Cc1c(/C=C\C)ccc2c1c1ccc(N(c3ccccc3)c3ccc(C4=CC=C(c5ccccc5)CC4)cc3)cc1n2-c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C53H42N2.C2H6/c1-3-14-44-29-36-51-53(49(44)4-2)50-35-34-48(37-52(50)55(51)47-32-27-42(28-33-47)39-17-10-6-11-18-39)54(45-19-12-7-13-20-45)46-30-25-43(26-31-46)41-23-21-40(22-24-41)38-15-8-5-9-16-38;1-2/h3-21,23,25-37H,2,22,24H2,1H3;1-2H3/b14-3-;
InChIKeyNQNIYOUUWNILHG-LAJPFITQSA-N
MW737.00 g/mol
LogP15.88
Rot. Bonds9

About ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine

ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine (PubChem CID 145362335) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine
PubChem CID145362335
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC Nameethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine
SMILESC=Cc1c(/C=C\C)ccc2c1c1ccc(N(c3ccccc3)c3ccc(C4=CC=C(c5ccccc5)CC4)cc3)cc1n2-c1ccc(-c2ccccc2)cc1.CC
InChIInChI=1S/C53H42N2.C2H6/c1-3-14-44-29-36-51-53(49(44)4-2)50-35-34-48(37-52(50)55(51)47-32-27-42(28-33-47)39-17-10-6-11-18-39)54(45-19-12-7-13-20-45)46-30-25-43(26-31-46)41-23-21-40(22-24-41)38-15-8-5-9-16-38;1-2/h3-21,23,25-37H,2,22,24H2,1H3;1-2H3/b14-3-;
InChIKeyNQNIYOUUWNILHG-LAJPFITQSA-N
XLogP15.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 134560170
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine?
The IUPAC name of ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine (CID 145362335) is ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine.
What is the SMILES notation for ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine?
The canonical SMILES for ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine is C=Cc1c(/C=C\C)ccc2c1c1ccc(N(c3ccccc3)c3ccc(C4=CC=C(c5ccccc5)CC4)cc3)cc1n2-c1ccc(-c2ccccc2)cc1.CC.
What is the InChIKey of ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine?
The InChIKey is NQNIYOUUWNILHG-LAJPFITQSA-N. The full InChI is InChI=1S/C53H42N2.C2H6/c1-3-14-44-29-36-51-53(49(44)4-2)50-35-34-48(37-52(50)55(51)47-32-27-42(28-33-47)39-17-10-6-11-18-39)54(45-19-12-7-13-20-45)46-30-25-43(26-31-46)41-23-21-40(22-24-41)38-15-8-5-9-16-38;1-2/h3-21,23,25-37H,2,22,24H2,1H3;1-2H3/b14-3-;.
What are the key properties of ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine?
ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine has a molecular weight of 737.00 g/mol, XLogP of 15.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine is sourced from PubChem (CID 145362335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).