N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline

C53H40N4 — CID 145110411

IUPACN-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline
SMILESC=C/N=C(\C=C/C)c1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3cc(-c4ccccc4)cc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C53H40N4/c1-3-13-51(55-4-2)42-24-30-47(31-25-42)56(45-26-20-39(21-27-45)40-32-34-54-35-33-40)46-28-22-41(23-29-46)49-36-43(38-14-7-5-8-15-38)37-50-48-18-11-12-19-52(48)57(53(49)50)44-16-9-6-10-17-44/h3-37H,2H2,1H3/b13-3-,55-51+
InChIKeyNMQFGHHUVZPODU-KYIPNYGYSA-N
MW732.93 g/mol
LogP14.16
Rot. Bonds10

About N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline

N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline (PubChem CID 145110411) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline.

Molecular Properties

Compound NameN-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline
PubChem CID145110411
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC NameN-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline
SMILESC=C/N=C(\C=C/C)c1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3cc(-c4ccccc4)cc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C53H40N4/c1-3-13-51(55-4-2)42-24-30-47(31-25-42)56(45-26-20-39(21-27-45)40-32-34-54-35-33-40)46-28-22-41(23-29-46)49-36-43(38-14-7-5-8-15-38)37-50-48-18-11-12-19-52(48)57(53(49)50)44-16-9-6-10-17-44/h3-37H,2H2,1H3/b13-3-,55-51+
InChIKeyNMQFGHHUVZPODU-KYIPNYGYSA-N
XLogP14.16
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4,5-dihydropyrimidin-2-yl)phenyl]-4-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-(4-pyrimidin-2-ylphenyl)aniline
CID 145110367
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 145110606
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline?
The IUPAC name of N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline (CID 145110411) is N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline.
What is the SMILES notation for N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline?
The canonical SMILES for N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline is C=C/N=C(\C=C/C)c1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3cc(-c4ccccc4)cc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline?
The InChIKey is NMQFGHHUVZPODU-KYIPNYGYSA-N. The full InChI is InChI=1S/C53H40N4/c1-3-13-51(55-4-2)42-24-30-47(31-25-42)56(45-26-20-39(21-27-45)40-32-34-54-35-33-40)46-28-22-41(23-29-46)49-36-43(38-14-7-5-8-15-38)37-50-48-18-11-12-19-52(48)57(53(49)50)44-16-9-6-10-17-44/h3-37H,2H2,1H3/b13-3-,55-51+.
What are the key properties of N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline?
N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline has a molecular weight of 732.93 g/mol, XLogP of 14.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-[4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]-4-pyridin-4-ylaniline is sourced from PubChem (CID 145110411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).