4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline

C73H46N4 — CID 144856654

IUPAC4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)ccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc32)cc1
InChIInChI=1S/C73H46N4/c1-3-19-59(20-4-1)73(60-21-5-2-6-22-60)65-45-57(71-74-67-25-13-11-23-63(67)69(76-71)51-33-27-49(28-34-51)55-37-31-47-15-7-9-17-53(47)43-55)39-41-61(65)62-42-40-58(46-66(62)73)72-75-68-26-14-12-24-64(68)70(77-72)52-35-29-50(30-36-52)56-38-32-48-16-8-10-18-54(48)44-56/h1-46H
InChIKeyKVSHMAUOCPCYMU-UHFFFAOYSA-N
MW979.20 g/mol
LogP18.24
Rot. Bonds8

About 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline

4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline (PubChem CID 144856654) has the molecular formula C73H46N4 and a molecular weight of 979.20 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
PubChem CID144856654
Molecular FormulaC73H46N4
Molecular Weight979.20 g/mol
Exact Mass978.37
IUPAC Name4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)ccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc32)cc1
InChIInChI=1S/C73H46N4/c1-3-19-59(20-4-1)73(60-21-5-2-6-22-60)65-45-57(71-74-67-25-13-11-23-63(67)69(76-71)51-33-27-49(28-34-51)55-37-31-47-15-7-9-17-53(47)43-55)39-41-61(65)62-42-40-58(46-66(62)73)72-75-68-26-14-12-24-64(68)70(77-72)52-35-29-50(30-36-52)56-38-32-48-16-8-10-18-54(48)44-56/h1-46H
InChIKeyKVSHMAUOCPCYMU-UHFFFAOYSA-N
XLogP18.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.20
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
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
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
4-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylquinazoline
CID 140962173
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
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
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
4-(4-phenylphenyl)-2-[17'-[3-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylquinazolin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]quinazoline
CID 137494857
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline?
The IUPAC name of 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline (CID 144856654) is 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline.
What is the SMILES notation for 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline?
The canonical SMILES for 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline is c1ccc(C2(c3ccccc3)c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)ccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc32)cc1.
What is the InChIKey of 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline?
The InChIKey is KVSHMAUOCPCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N4/c1-3-19-59(20-4-1)73(60-21-5-2-6-22-60)65-45-57(71-74-67-25-13-11-23-63(67)69(76-71)51-33-27-49(28-34-51)55-37-31-47-15-7-9-17-53(47)43-55)39-41-61(65)62-42-40-58(46-66(62)73)72-75-68-26-14-12-24-64(68)70(77-72)52-35-29-50(30-36-52)56-38-32-48-16-8-10-18-54(48)44-56/h1-46H.
What are the key properties of 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline?
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline has a molecular weight of 979.20 g/mol, XLogP of 18.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline is sourced from PubChem (CID 144856654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).