4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole

C89H56F6N8 — CID 160807467

IUPAC4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5n4)nc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N4.C37H22F6N4/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)49-45-25-13-15-27-47(45)53-51(55-49)52-54-48-28-16-14-26-46(48)50(56-52)44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38;38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47/h1-34H;1-22H
InChIKeySDWMKBWEAVULPT-UHFFFAOYSA-N
MW1351.47 g/mol
LogP23.32
Rot. Bonds11

About 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole

4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 160807467) has the molecular formula C89H56F6N8 and a molecular weight of 1351.47 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole
PubChem CID160807467
Molecular FormulaC89H56F6N8
Molecular Weight1351.47 g/mol
Exact Mass1350.45
IUPAC Name4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5n4)nc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N4.C37H22F6N4/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)49-45-25-13-15-27-47(45)53-51(55-49)52-54-48-28-16-14-26-46(48)50(56-52)44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38;38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47/h1-34H;1-22H
InChIKeySDWMKBWEAVULPT-UHFFFAOYSA-N
XLogP23.32
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.47
LogP ≤ 523.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

Panulisib
CID 56947515
Bag-956
CID 24882589
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-6-methyl-2-pyrimidinamine
CID 50938829
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyrimidinamine
CID 50939080
4-(1-(7-Fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-pyrimidinamine
CID 50939081
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566407
5,7-Difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566542
5,7-Difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566598
4-(4-benzylpiperazin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013708
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
7-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370344
1-(4-Fluorophenyl)-2-methyl-8-(4-methylphenyl)imidazo[4,5-c]quinoline
CID 168274202

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole (CID 160807467) is 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole is FC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)C(F)(F)F.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5n4)nc4ccccc34)c2)cc1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is SDWMKBWEAVULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C37H22F6N4/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)49-45-25-13-15-27-47(45)53-51(55-49)52-54-48-28-16-14-26-46(48)50(56-52)44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38;38-36(39,40)35(37(41,42)43,23-9-13-25(14-10-23)46-31-7-3-1-5-27(31)29-21-44-19-17-33(29)46)24-11-15-26(16-12-24)47-32-8-4-2-6-28(32)30-22-45-20-18-34(30)47/h1-34H;1-22H.
What are the key properties of 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole?
4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1351.47 g/mol, XLogP of 23.32, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-2-[4-(3,5-diphenylphenyl)quinazolin-2-yl]quinazoline;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 160807467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).