2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline

C62H38N4 — CID 163813527

IUPAC2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccc(-c8ccc9c(ccc%10ccccc%109)c8)cc7)nc7ccccc67)cc5)c5ccccc5n4)cc3)ccc12
InChIInChI=1S/C62H38N4/c1-3-11-51-41(9-1)21-31-49-37-47(33-35-53(49)51)39-17-27-45(28-18-39)61-63-57-15-7-5-13-55(57)59(65-61)43-23-25-44(26-24-43)60-56-14-6-8-16-58(56)64-62(66-60)46-29-19-40(20-30-46)48-34-36-54-50(38-48)32-22-42-10-2-4-12-52(42)54/h1-38H
InChIKeyNPIIUOHTNFKOTH-UHFFFAOYSA-N
MW839.01 g/mol
LogP16.19
Rot. Bonds6

About 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline

2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline (PubChem CID 163813527) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
PubChem CID163813527
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccc(-c8ccc9c(ccc%10ccccc%109)c8)cc7)nc7ccccc67)cc5)c5ccccc5n4)cc3)ccc12
InChIInChI=1S/C62H38N4/c1-3-11-51-41(9-1)21-31-49-37-47(33-35-53(49)51)39-17-27-45(28-18-39)61-63-57-15-7-5-13-55(57)59(65-61)43-23-25-44(26-24-43)60-56-14-6-8-16-58(56)64-62(66-60)46-29-19-40(20-30-46)48-34-36-54-50(38-48)32-22-42-10-2-4-12-52(42)54/h1-38H
InChIKeyNPIIUOHTNFKOTH-UHFFFAOYSA-N
XLogP16.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 516.19
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

2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-naphthalen-2-yl-7-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-2-phenylquinazoline
CID 167087717
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline?
The IUPAC name of 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline (CID 163813527) is 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline.
What is the SMILES notation for 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline?
The canonical SMILES for 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline is c1ccc2c(c1)ccc1cc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccc(-c8ccc9c(ccc%10ccccc%109)c8)cc7)nc7ccccc67)cc5)c5ccccc5n4)cc3)ccc12.
What is the InChIKey of 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline?
The InChIKey is NPIIUOHTNFKOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-3-11-51-41(9-1)21-31-49-37-47(33-35-53(49)51)39-17-27-45(28-18-39)61-63-57-15-7-5-13-55(57)59(65-61)43-23-25-44(26-24-43)60-56-14-6-8-16-58(56)64-62(66-60)46-29-19-40(20-30-46)48-34-36-54-50(38-48)32-22-42-10-2-4-12-52(42)54/h1-38H.
What are the key properties of 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline?
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline has a molecular weight of 839.01 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 163813527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).