11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

C48H30N4 — CID 144645582

IUPAC11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESC1=CC=C(C=C1)N2C=CC3=CC4=C(C=C32)N(C5=C4C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8C(=N7)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21
InChIInChI=1S/C48H30N4/c1-2-14-36(15-3-1)51-28-27-35-29-41-45(30-44(35)51)52(43-26-25-32-12-5-7-17-39(32)46(41)43)48-49-42-20-9-8-18-40(42)47(50-48)34-23-21-33(22-24-34)38-19-10-13-31-11-4-6-16-37(31)38/h1-30H
InChIKeyZWEAOBJNKXRSBR-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.50
Rot. Bonds4

About 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (PubChem CID 144645582) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
PubChem CID144645582
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESC1=CC=C(C=C1)N2C=CC3=CC4=C(C=C32)N(C5=C4C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8C(=N7)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21
InChIInChI=1S/C48H30N4/c1-2-14-36(15-3-1)51-28-27-35-29-41-45(30-44(35)51)52(43-26-25-32-12-5-7-17-39(32)46(41)43)48-49-42-20-9-8-18-40(42)47(50-48)34-23-21-33(22-24-34)38-19-10-13-31-11-4-6-16-37(31)38/h1-30H
InChIKeyZWEAOBJNKXRSBR-UHFFFAOYSA-N
XLogP12.50
TPSA35.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity1210

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene 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

1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646778
N,12-dimethyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9813880
N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9900652
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
7-Benzylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 463795
(R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11647025
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
7-[(4-Methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44383301
7-(o-Tolylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531725
7-(5,6-Dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 56595784
Pyrido[3,4-G]quinazolin-2-Amine
CID 118988440

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The IUPAC name of 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (CID 144645582) is 11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.
What is the SMILES notation for 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The canonical SMILES for 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is C1=CC=C(C=C1)N2C=CC3=CC4=C(C=C32)N(C5=C4C6=CC=CC=C6C=C5)C7=NC8=CC=CC=C8C(=N7)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21.
What is the InChIKey of 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The InChIKey is ZWEAOBJNKXRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-14-36(15-3-1)51-28-27-35-29-41-45(30-44(35)51)52(43-26-25-32-12-5-7-17-39(32)46(41)43)48-49-42-20-9-8-18-40(42)47(50-48)34-23-21-33(22-24-34)38-19-10-13-31-11-4-6-16-37(31)38/h1-30H.
What are the key properties of 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene has a molecular weight of 662.80 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-Naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is sourced from PubChem (CID 144645582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).