2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline

C63H42N2 — CID 130375121

IUPAC2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5)c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C63H42N2/c1-4-18-43(19-5-1)45-34-36-46(37-35-45)62-64-60-33-15-12-30-57(60)61(65-62)49-24-16-22-47(38-49)51-39-50(44-20-6-2-7-21-44)40-52(41-51)48-23-17-27-54(42-48)63(53-25-8-3-9-26-53)58-31-13-10-28-55(58)56-29-11-14-32-59(56)63/h1-42H
InChIKeyILPJGBHWJDCFKR-UHFFFAOYSA-N
MW827.04 g/mol
LogP15.99
Rot. Bonds8

About 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline

2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline (PubChem CID 130375121) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
PubChem CID130375121
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5)c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C63H42N2/c1-4-18-43(19-5-1)45-34-36-46(37-35-45)62-64-60-33-15-12-30-57(60)61(65-62)49-24-16-22-47(38-49)51-39-50(44-20-6-2-7-21-44)40-52(41-51)48-23-17-27-54(42-48)63(53-25-8-3-9-26-53)58-31-13-10-28-55(58)56-29-11-14-32-59(56)63/h1-42H
InChIKeyILPJGBHWJDCFKR-UHFFFAOYSA-N
XLogP15.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
10,10-diphenyl-21-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159098065
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
2-[3-(14,19-diphenyl-14-tetracyclo[13.3.1.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 146413959
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
2-phenyl-4-[3-(9-phenylthioxanthen-9-yl)phenyl]quinazoline
CID 139307622
4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
CID 155465448
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline?
The IUPAC name of 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline (CID 130375121) is 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline.
What is the SMILES notation for 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline?
The canonical SMILES for 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5)c4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline?
The InChIKey is ILPJGBHWJDCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-4-18-43(19-5-1)45-34-36-46(37-35-45)62-64-60-33-15-12-30-57(60)61(65-62)49-24-16-22-47(38-49)51-39-50(44-20-6-2-7-21-44)40-52(41-51)48-23-17-27-54(42-48)63(53-25-8-3-9-26-53)58-31-13-10-28-55(58)56-29-11-14-32-59(56)63/h1-42H.
What are the key properties of 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline?
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline has a molecular weight of 827.04 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline is sourced from PubChem (CID 130375121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).