N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine

C52H34N4 — CID 118506892

IUPACN-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)c3ccccc3n2)cc1
InChIInChI=1S/C52H34N4/c1-3-15-36(16-4-1)51-53-47-25-13-11-24-45(47)52(54-51)56-48-26-14-12-23-44(48)46-33-37(29-32-49(46)56)35-27-30-40(31-28-35)55(39-18-5-2-6-19-39)50-34-38-17-7-8-20-41(38)42-21-9-10-22-43(42)50/h1-34H
InChIKeyMGVZRMGLGJJYAH-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.84
Rot. Bonds6

About N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine

N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine (PubChem CID 118506892) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine
PubChem CID118506892
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC NameN-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)c3ccccc3n2)cc1
InChIInChI=1S/C52H34N4/c1-3-15-36(16-4-1)51-53-47-25-13-11-24-45(47)52(54-51)56-48-26-14-12-23-44(48)46-33-37(29-32-49(46)56)35-27-30-40(31-28-35)55(39-18-5-2-6-19-39)50-34-38-17-7-8-20-41(38)42-21-9-10-22-43(42)50/h1-34H
InChIKeyMGVZRMGLGJJYAH-UHFFFAOYSA-N
XLogP13.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 154514157
4-N-naphthalen-1-yl-1-N,1-N-diphenyl-4-N-[4-[3-[3-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 163527476
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine?
The IUPAC name of N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine (CID 118506892) is N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)c3ccccc3n2)cc1.
What is the InChIKey of N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine?
The InChIKey is MGVZRMGLGJJYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-15-36(16-4-1)51-53-47-25-13-11-24-45(47)52(54-51)56-48-26-14-12-23-44(48)46-33-37(29-32-49(46)56)35-27-30-40(31-28-35)55(39-18-5-2-6-19-39)50-34-38-17-7-8-20-41(38)42-21-9-10-22-43(42)50/h1-34H.
What are the key properties of N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine?
N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine has a molecular weight of 714.87 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 118506892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).