2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C104H66N6O2 — CID 159296386

IUPAC2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H35N3O.C49H31N3O/c1-4-12-36(13-5-1)38-20-26-41(27-21-38)49-35-50(58-55(57-49)44-30-24-39(25-31-44)37-14-6-2-7-15-37)42-28-22-40(23-29-42)45-32-33-48-47(34-45)54-52(46-18-10-11-19-51(46)59-54)53(56-48)43-16-8-3-9-17-43;1-4-12-32(13-5-1)33-20-24-35(25-21-33)43-31-44(52-49(51-43)38-16-8-3-9-17-38)36-26-22-34(23-27-36)39-28-29-42-41(30-39)48-46(40-18-10-11-19-45(40)53-48)47(50-42)37-14-6-2-7-15-37/h1-35H;1-31H
InChIKeyLATSEPOPYZKTJR-UHFFFAOYSA-N
MW1431.71 g/mol
LogP27.52
Rot. Bonds13

About 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 159296386) has the molecular formula C104H66N6O2 and a molecular weight of 1431.71 g/mol. Its IUPAC name is 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID159296386
Molecular FormulaC104H66N6O2
Molecular Weight1431.71 g/mol
Exact Mass1430.52
IUPAC Name2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H35N3O.C49H31N3O/c1-4-12-36(13-5-1)38-20-26-41(27-21-38)49-35-50(58-55(57-49)44-30-24-39(25-31-44)37-14-6-2-7-15-37)42-28-22-40(23-29-42)45-32-33-48-47(34-45)54-52(46-18-10-11-19-51(46)59-54)53(56-48)43-16-8-3-9-17-43;1-4-12-32(13-5-1)33-20-24-35(25-21-33)43-31-44(52-49(51-43)38-16-8-3-9-17-38)36-26-22-34(23-27-36)39-28-29-42-41(30-39)48-46(40-18-10-11-19-45(40)53-48)47(50-42)37-14-6-2-7-15-37/h1-35H;1-31H
InChIKeyLATSEPOPYZKTJR-UHFFFAOYSA-N
XLogP27.52
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.71
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

11-[3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 162703594
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 146497836
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
11-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 162703453
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716014
14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123553
11-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 162703271
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
1-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 147593443
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 159296386) is 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7c8ccccc8oc7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is LATSEPOPYZKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O.C49H31N3O/c1-4-12-36(13-5-1)38-20-26-41(27-21-38)49-35-50(58-55(57-49)44-30-24-39(25-31-44)37-14-6-2-7-15-37)42-28-22-40(23-29-42)45-32-33-48-47(34-45)54-52(46-18-10-11-19-51(46)59-54)53(56-48)43-16-8-3-9-17-43;1-4-12-32(13-5-1)33-20-24-35(25-21-33)43-31-44(52-49(51-43)38-16-8-3-9-17-38)36-26-22-34(23-27-36)39-28-29-42-41(30-39)48-46(40-18-10-11-19-45(40)53-48)47(50-42)37-14-6-2-7-15-37/h1-35H;1-31H.
What are the key properties of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 1431.71 g/mol, XLogP of 27.52, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 159296386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).