N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline

C44H32N4 — CID 136510195

IUPACN,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline
SMILESC1=CC2=C(c3ccccc3)N=C(n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)NC2C=C1
InChIInChI=1S/C44H32N4/c1-4-14-32(15-5-1)43-38-21-10-12-22-40(38)45-44(46-43)48-41-23-13-11-20-37(41)39-30-33(26-29-42(39)48)31-24-27-36(28-25-31)47(34-16-6-2-7-17-34)35-18-8-3-9-19-35/h1-30,40H,(H,45,46)
InChIKeyOXZZURURXBNTSQ-UHFFFAOYSA-N
MW616.77 g/mol
LogP10.64
Rot. Bonds5

About N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline

N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline (PubChem CID 136510195) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline
PubChem CID136510195
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC NameN,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline
SMILESC1=CC2=C(c3ccccc3)N=C(n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)NC2C=C1
InChIInChI=1S/C44H32N4/c1-4-14-32(15-5-1)43-38-21-10-12-22-40(38)45-44(46-43)48-41-23-13-11-20-37(41)39-30-33(26-29-42(39)48)31-24-27-36(28-25-31)47(34-16-6-2-7-17-34)35-18-8-3-9-19-35/h1-30,40H,(H,45,46)
InChIKeyOXZZURURXBNTSQ-UHFFFAOYSA-N
XLogP10.64
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-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-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline
CID 154968774
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-28-(4-phenyl-1,8a-dihydroquinazolin-2-yl)-9,11,18,28-tetrazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),3,5,7,12,14,16,18,21(29),22,24,26,30-tetradecaene
CID 137213254
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
CID 70996882
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline (CID 136510195) is N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline is C1=CC2=C(c3ccccc3)N=C(n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)NC2C=C1.
What is the InChIKey of N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline?
The InChIKey is OXZZURURXBNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4/c1-4-14-32(15-5-1)43-38-21-10-12-22-40(38)45-44(46-43)48-41-23-13-11-20-37(41)39-30-33(26-29-42(39)48)31-24-27-36(28-25-31)47(34-16-6-2-7-17-34)35-18-8-3-9-19-35/h1-30,40H,(H,45,46).
What are the key properties of N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline?
N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline has a molecular weight of 616.77 g/mol, XLogP of 10.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline is sourced from PubChem (CID 136510195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).