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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Related Compounds

9-(3-(4-(3,5-Di(9H-carbazol-9-yl)phenyl)-6-phenyl-1,3,5-triazin-2-yl)-5-(9H-carbazol-9-yl)phenyl)-9H-carbazole
CID 102593214
12-[4-(4-Fluorophenyl)benzo[h]quinazolin-2-yl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 134224647
9-[2-[3-[2-[3,6-Bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;methane
CID 163651179
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(2-fluorophenyl)phenyl]carbazole-3-carbonitrile
CID 163657911
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
3-[9-[3-[2,4-Bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 163668248
9-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 168341574
6-(3-Indolo[1,2-c]quinazolin-6-ylnaphthalen-2-yl)indolo[1,2-c]quinazoline
CID 45276790
6-(3-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276940
6-(4-Indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
CID 45276941
9'-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-3,3'',6,6''-tetraphenyl-9'H-9,3':6',9''-tercarbazole
CID 90308422
2,4-Bis{3-(9h-carbazol-9-yl)-9h-carbazol-9-yl}-6-phenyl-1,3,5-triazine
CID 102489904

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).