N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline

C54H38N4 — CID 154968774

IUPACN,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline
SMILESC1=CC2=C(c3ccccc3)N=C(c3ccc4c(c3)c3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)NC2C=C1
InChIInChI=1S/C54H38N4/c1-5-17-38(18-6-1)53-46-27-15-16-28-49(46)55-54(56-53)39-31-34-50-48(35-39)52-45-26-14-13-25-44(45)47(36-51(52)58(50)42-23-11-4-12-24-42)37-29-32-43(33-30-37)57(40-19-7-2-8-20-40)41-21-9-3-10-22-41/h1-36,49H,(H,55,56)
InChIKeyKRAVEUSVLVAVQD-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.33
Rot. Bonds7

About N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline

N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline (PubChem CID 154968774) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline
PubChem CID154968774
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC NameN,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline
SMILESC1=CC2=C(c3ccccc3)N=C(c3ccc4c(c3)c3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)NC2C=C1
InChIInChI=1S/C54H38N4/c1-5-17-38(18-6-1)53-46-27-15-16-28-49(46)55-54(56-53)39-31-34-50-48(35-39)52-45-26-14-13-25-44(45)47(36-51(52)58(50)42-23-11-4-12-24-42)37-29-32-43(33-30-37)57(40-19-7-2-8-20-40)41-21-9-3-10-22-41/h1-36,49H,(H,55,56)
InChIKeyKRAVEUSVLVAVQD-UHFFFAOYSA-N
XLogP13.33
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline 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,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline
CID 136510195
5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
CID 90215744
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852
10-(9H-carbazol-3-yl)-5,7-diphenylbenzo[c]carbazole
CID 147230918
4-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-1,8a-dihydroquinazolin-2-amine
CID 136985342
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline
CID 170177912
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline (CID 154968774) is N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline is C1=CC2=C(c3ccccc3)N=C(c3ccc4c(c3)c3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)NC2C=C1.
What is the InChIKey of N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline?
The InChIKey is KRAVEUSVLVAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-5-17-38(18-6-1)53-46-27-15-16-28-49(46)55-54(56-53)39-31-34-50-48(35-39)52-45-26-14-13-25-44(45)47(36-51(52)58(50)42-23-11-4-12-24-42)37-29-32-43(33-30-37)57(40-19-7-2-8-20-40)41-21-9-3-10-22-41/h1-36,49H,(H,55,56).
What are the key properties of N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline?
N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline has a molecular weight of 742.93 g/mol, XLogP of 13.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline is sourced from PubChem (CID 154968774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).