2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline

C54H36N4 — CID 163610582

IUPAC2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline
SMILESc1ccc2c(c1)N=C(c1ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)cc1)NC2c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H36N4/c1-3-11-43-33-45(31-21-35(43)9-1)37-17-23-39(24-18-37)51-47-13-5-7-15-49(47)56-54(57-51)42-29-25-40(26-30-42)52-48-14-6-8-16-50(48)55-53(58-52)41-27-19-38(20-28-41)46-32-22-36-10-2-4-12-44(36)34-46/h1-34,51H,(H,56,57)
InChIKeyHFOINQUOXJQELX-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.38
Rot. Bonds6

About 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline

2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline (PubChem CID 163610582) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline
PubChem CID163610582
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline
SMILESc1ccc2c(c1)N=C(c1ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)cc1)NC2c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H36N4/c1-3-11-43-33-45(31-21-35(43)9-1)37-17-23-39(24-18-37)51-47-13-5-7-15-49(47)56-54(57-51)42-29-25-40(26-30-42)52-48-14-6-8-16-50(48)55-53(58-52)41-27-19-38(20-28-41)46-32-22-36-10-2-4-12-44(36)34-46/h1-34,51H,(H,56,57)
InChIKeyHFOINQUOXJQELX-UHFFFAOYSA-N
XLogP13.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline (CID 163610582) is 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline is c1ccc2c(c1)N=C(c1ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)cc1)NC2c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline?
The InChIKey is HFOINQUOXJQELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-11-43-33-45(31-21-35(43)9-1)37-17-23-39(24-18-37)51-47-13-5-7-15-49(47)56-54(57-51)42-29-25-40(26-30-42)52-48-14-6-8-16-50(48)55-53(58-52)41-27-19-38(20-28-41)46-32-22-36-10-2-4-12-44(36)34-46/h1-34,51H,(H,56,57).
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline?
2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline has a molecular weight of 740.91 g/mol, XLogP of 13.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4-[4-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]quinazoline is sourced from PubChem (CID 163610582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).