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

C57H38N2 — CID 146413959

IUPAC2-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc6-c6cccc5c6-c5ccccc5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C57H38N2/c1-4-18-39(19-5-1)40-34-36-42(37-35-40)55-50-29-13-15-33-53(50)58-56(59-55)43-22-16-25-45(38-43)57(44-23-8-3-9-24-44)51-31-14-12-28-48(51)46-26-10-11-27-47(46)49-30-17-32-52(57)54(49)41-20-6-2-7-21-41/h1-38H
InChIKeyZJMQSRCWYVDJMS-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.33
Rot. Bonds6

About 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

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 (PubChem CID 146413959) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID146413959
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name2-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc6-c6cccc5c6-c5ccccc5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C57H38N2/c1-4-18-39(19-5-1)40-34-36-42(37-35-40)55-50-29-13-15-33-53(50)58-56(59-55)43-22-16-25-45(38-43)57(44-23-8-3-9-24-44)51-31-14-12-28-48(51)46-26-10-11-27-47(46)49-30-17-32-52(57)54(49)41-20-6-2-7-21-41/h1-38H
InChIKeyZJMQSRCWYVDJMS-UHFFFAOYSA-N
XLogP14.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

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

Analyze 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 with MolForge

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Related Compounds

2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
CID 155465448
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-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
2-phenyl-4-[3-(9-phenylthioxanthen-9-yl)phenyl]quinazoline
CID 139307622
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
4-(4-phenylphenyl)-2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylquinazoline
CID 153357768
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
CID 144856654
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
21-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-diphenyl-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 129124319

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc6-c6cccc5c6-c5ccccc5)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZJMQSRCWYVDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-18-39(19-5-1)40-34-36-42(37-35-40)55-50-29-13-15-33-53(50)58-56(59-55)43-22-16-25-45(38-43)57(44-23-8-3-9-24-44)51-31-14-12-28-48(51)46-26-10-11-27-47(46)49-30-17-32-52(57)54(49)41-20-6-2-7-21-41/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 750.95 g/mol, XLogP of 14.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).