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

C57H38N2 — CID 130375125

IUPAC4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)c5)c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)56-58-54-28-12-9-25-51(54)55(59-56)46-20-14-19-45(38-46)44-18-13-17-43(37-44)41-33-35-48(36-34-41)57(47-21-5-2-6-22-47)52-26-10-7-23-49(52)50-24-8-11-27-53(50)57/h1-38H
InChIKeyMYZWEYLBODNBNX-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.33
Rot. Bonds7

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

4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline (PubChem CID 130375125) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
PubChem CID130375125
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)c5)c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)56-58-54-28-12-9-25-51(54)55(59-56)46-20-14-19-45(38-46)44-18-13-17-43(37-44)41-33-35-48(36-34-41)57(47-21-5-2-6-22-47)52-26-10-7-23-49(52)50-24-8-11-27-53(50)57/h1-38H
InChIKeyMYZWEYLBODNBNX-UHFFFAOYSA-N
XLogP14.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
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-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
CID 155465448
4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
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
10,10-diphenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-14-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 157211890
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline?
The IUPAC name of 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline (CID 130375125) is 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline?
The canonical SMILES for 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)c5)c4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline?
The InChIKey is MYZWEYLBODNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)56-58-54-28-12-9-25-51(54)55(59-56)46-20-14-19-45(38-46)44-18-13-17-43(37-44)41-33-35-48(36-34-41)57(47-21-5-2-6-22-47)52-26-10-7-23-49(52)50-24-8-11-27-53(50)57/h1-38H.
What are the key properties of 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline?
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline has a molecular weight of 750.95 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 130375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).