2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline

C63H44N4 — CID 148698229

IUPAC2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline
SMILESCC(C)c1cccc2c(-c3cccc(-c4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)c4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc12
InChIInChI=1S/C63H44N4/c1-40(2)55-21-11-22-57-60(66-62(67-61(55)57)46-32-26-44(27-33-46)52-35-29-42-13-4-6-15-48(42)37-52)53-18-9-16-49(38-53)50-17-10-19-54(39-50)63-64-58-23-8-7-20-56(58)59(65-63)45-30-24-43(25-31-45)51-34-28-41-12-3-5-14-47(41)36-51/h3-40H,1-2H3
InChIKeyHTPLQUGRVSJZAP-UHFFFAOYSA-N
MW857.07 g/mol
LogP16.67
Rot. Bonds8

About 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline

2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline (PubChem CID 148698229) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline
PubChem CID148698229
Molecular FormulaC63H44N4
Molecular Weight857.07 g/mol
Exact Mass856.36
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline
SMILESCC(C)c1cccc2c(-c3cccc(-c4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)c4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc12
InChIInChI=1S/C63H44N4/c1-40(2)55-21-11-22-57-60(66-62(67-61(55)57)46-32-26-44(27-33-46)52-35-29-42-13-4-6-15-48(42)37-52)53-18-9-16-49(38-53)50-17-10-19-54(39-50)63-64-58-23-8-7-20-56(58)59(65-63)45-30-24-43(25-31-45)51-34-28-41-12-3-5-14-47(41)36-51/h3-40H,1-2H3
InChIKeyHTPLQUGRVSJZAP-UHFFFAOYSA-N
XLogP16.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
3-naphthalen-2-yl-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline;bis(2-naphthalen-2-yl-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline);3-naphthalen-2-yl-1-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[h]quinazoline
CID 160741572
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666016

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline (CID 148698229) is 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline is CC(C)c1cccc2c(-c3cccc(-c4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)c4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc12.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline?
The InChIKey is HTPLQUGRVSJZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-40(2)55-21-11-22-57-60(66-62(67-61(55)57)46-32-26-44(27-33-46)52-35-29-42-13-4-6-15-48(42)37-52)53-18-9-16-49(38-53)50-17-10-19-54(39-50)63-64-58-23-8-7-20-56(58)59(65-63)45-30-24-43(25-31-45)51-34-28-41-12-3-5-14-47(41)36-51/h3-40H,1-2H3.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline?
2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline has a molecular weight of 857.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline is sourced from PubChem (CID 148698229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).