6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile

C90H50F2N10 — CID 130179545

IUPAC6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile
SMILESN#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8cc9c(C#N)nc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14ccc(-c%15ccccc%15)cc%14)c%13c%12)ccc%11%10)nc9cc8F)c7)cc6)c5c4)ccc32)nc2ccc(F)cc12
InChIInChI=1S/C90H50F2N10/c91-62-33-40-77-74(48-62)79(51-93)97-89(95-77)101-83-23-10-6-19-67(83)72-44-57(31-41-85(72)101)60-30-39-70-66-18-5-9-22-82(66)100(88(70)47-60)64-36-27-55(28-37-64)56-15-12-16-61(43-56)71-49-75-78(50-76(71)92)96-90(98-80(75)52-94)102-84-24-11-7-20-68(84)73-45-58(32-42-86(73)102)59-29-38-69-65-17-4-8-21-81(65)99(87(69)46-59)63-34-25-54(26-35-63)53-13-2-1-3-14-53/h1-50H
InChIKeyRXXBVJZNBRFKRP-UHFFFAOYSA-N
MW1309.46 g/mol
LogP22.32
Rot. Bonds9

About 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile

6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile (PubChem CID 130179545) has the molecular formula C90H50F2N10 and a molecular weight of 1309.46 g/mol. Its IUPAC name is 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile.

Molecular Properties

Compound Name6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile
PubChem CID130179545
Molecular FormulaC90H50F2N10
Molecular Weight1309.46 g/mol
Exact Mass1308.42
IUPAC Name6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile
SMILESN#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8cc9c(C#N)nc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14ccc(-c%15ccccc%15)cc%14)c%13c%12)ccc%11%10)nc9cc8F)c7)cc6)c5c4)ccc32)nc2ccc(F)cc12
InChIInChI=1S/C90H50F2N10/c91-62-33-40-77-74(48-62)79(51-93)97-89(95-77)101-83-23-10-6-19-67(83)72-44-57(31-41-85(72)101)60-30-39-70-66-18-5-9-22-82(66)100(88(70)47-60)64-36-27-55(28-37-64)56-15-12-16-61(43-56)71-49-75-78(50-76(71)92)96-90(98-80(75)52-94)102-84-24-11-7-20-68(84)73-45-58(32-42-86(73)102)59-29-38-69-65-17-4-8-21-81(65)99(87(69)46-59)63-34-25-54(26-35-63)53-13-2-1-3-14-53/h1-50H
InChIKeyRXXBVJZNBRFKRP-UHFFFAOYSA-N
XLogP22.32
TPSA118.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.46
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile?
The IUPAC name of 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile (CID 130179545) is 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile.
What is the SMILES notation for 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile?
The canonical SMILES for 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile is N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc(-c8cc9c(C#N)nc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c%14ccccc%14n(-c%14ccc(-c%15ccccc%15)cc%14)c%13c%12)ccc%11%10)nc9cc8F)c7)cc6)c5c4)ccc32)nc2ccc(F)cc12.
What is the InChIKey of 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile?
The InChIKey is RXXBVJZNBRFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50F2N10/c91-62-33-40-77-74(48-62)79(51-93)97-89(95-77)101-83-23-10-6-19-67(83)72-44-57(31-41-85(72)101)60-30-39-70-66-18-5-9-22-82(66)100(88(70)47-60)64-36-27-55(28-37-64)56-15-12-16-61(43-56)71-49-75-78(50-76(71)92)96-90(98-80(75)52-94)102-84-24-11-7-20-68(84)73-45-58(32-42-86(73)102)59-29-38-69-65-17-4-8-21-81(65)99(87(69)46-59)63-34-25-54(26-35-63)53-13-2-1-3-14-53/h1-50H.
What are the key properties of 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile?
6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile has a molecular weight of 1309.46 g/mol, XLogP of 22.32, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[2-[9-(4-cyano-6-fluoroquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-7-fluoro-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]quinazoline-4-carbonitrile is sourced from PubChem (CID 130179545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).