2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline

C54H34N4 — CID 144856190

IUPAC2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5cccc(-c6nc(-c7ccc8ccc(-c9ccccc9)cc8c7)nc7ccccc67)c5)c5ccccc5n4)cc3c2)cc1
InChIInChI=1S/C54H34N4/c1-3-12-35(13-4-1)39-26-22-37-24-28-43(33-45(37)30-39)53-55-49-20-9-7-18-47(49)51(57-53)41-16-11-17-42(32-41)52-48-19-8-10-21-50(48)56-54(58-52)44-29-25-38-23-27-40(31-46(38)34-44)36-14-5-2-6-15-36/h1-34H
InChIKeyIVRPFDZQYXLOSA-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.88
Rot. Bonds6

About 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline

2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline (PubChem CID 144856190) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
PubChem CID144856190
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5cccc(-c6nc(-c7ccc8ccc(-c9ccccc9)cc8c7)nc7ccccc67)c5)c5ccccc5n4)cc3c2)cc1
InChIInChI=1S/C54H34N4/c1-3-12-35(13-4-1)39-26-22-37-24-28-43(33-45(37)30-39)53-55-49-20-9-7-18-47(49)51(57-53)41-16-11-17-42(32-41)52-48-19-8-10-21-50(48)56-54(58-52)44-29-25-38-23-27-40(31-46(38)34-44)36-14-5-2-6-15-36/h1-34H
InChIKeyIVRPFDZQYXLOSA-UHFFFAOYSA-N
XLogP13.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
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
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)quinazoline
CID 89279802
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
2-(4-naphthalen-2-ylphenyl)-4-[3-[3-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-8-propan-2-ylquinazoline
CID 148698229
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline?
The IUPAC name of 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline (CID 144856190) is 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline.
What is the SMILES notation for 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline?
The canonical SMILES for 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline is c1ccc(-c2ccc3ccc(-c4nc(-c5cccc(-c6nc(-c7ccc8ccc(-c9ccccc9)cc8c7)nc7ccccc67)c5)c5ccccc5n4)cc3c2)cc1.
What is the InChIKey of 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline?
The InChIKey is IVRPFDZQYXLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-12-35(13-4-1)39-26-22-37-24-28-43(33-45(37)30-39)53-55-49-20-9-7-18-47(49)51(57-53)41-16-11-17-42(32-41)52-48-19-8-10-21-50(48)56-54(58-52)44-29-25-38-23-27-40(31-46(38)34-44)36-14-5-2-6-15-36/h1-34H.
What are the key properties of 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline?
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline has a molecular weight of 738.89 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 144856190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).