2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile

C90H55FN10 — CID 130179529

IUPAC2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile
SMILESCC(C)(Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6cc(F)ccc6c(C#N)c5C#N)cc43)cc2)cc1)c1ccc2c(C#N)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc2c1
InChIInChI=1S/C90H55FN10/c1-90(2,61-34-40-72-77(48-61)96-89(97-79(72)53-94)101-83-23-13-9-19-69(83)74-45-58(33-43-85(74)101)59-30-38-70-66-16-6-10-20-80(66)98(86(70)46-59)63-14-4-3-5-15-63)50-54-24-26-55(27-25-54)56-28-36-64(37-29-56)99-81-21-11-7-17-67(81)71-39-31-60(47-87(71)99)57-32-42-84-73(44-57)68-18-8-12-22-82(68)100(84)88-76(52-93)75(51-92)65-41-35-62(91)49-78(65)95-88/h3-49H,50H2,1-2H3
InChIKeyQVMVXTMAGBHDTJ-UHFFFAOYSA-N
MW1295.50 g/mol
LogP21.84
Rot. Bonds10

About 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile

2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile (PubChem CID 130179529) has the molecular formula C90H55FN10 and a molecular weight of 1295.50 g/mol. Its IUPAC name is 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile
PubChem CID130179529
Molecular FormulaC90H55FN10
Molecular Weight1295.50 g/mol
Exact Mass1294.46
IUPAC Name2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile
SMILESCC(C)(Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6cc(F)ccc6c(C#N)c5C#N)cc43)cc2)cc1)c1ccc2c(C#N)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc2c1
InChIInChI=1S/C90H55FN10/c1-90(2,61-34-40-72-77(48-61)96-89(97-79(72)53-94)101-83-23-13-9-19-69(83)74-45-58(33-43-85(74)101)59-30-38-70-66-16-6-10-20-80(66)98(86(70)46-59)63-14-4-3-5-15-63)50-54-24-26-55(27-25-54)56-28-36-64(37-29-56)99-81-21-11-7-17-67(81)71-39-31-60(47-87(71)99)57-32-42-84-73(44-57)68-18-8-12-22-82(68)100(84)88-76(52-93)75(51-92)65-41-35-62(91)49-78(65)95-88/h3-49H,50H2,1-2H3
InChIKeyQVMVXTMAGBHDTJ-UHFFFAOYSA-N
XLogP21.84
TPSA129.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.50
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile?
The IUPAC name of 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile (CID 130179529) is 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile.
What is the SMILES notation for 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile?
The canonical SMILES for 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile is CC(C)(Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6cc(F)ccc6c(C#N)c5C#N)cc43)cc2)cc1)c1ccc2c(C#N)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc2c1.
What is the InChIKey of 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile?
The InChIKey is QVMVXTMAGBHDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H55FN10/c1-90(2,61-34-40-72-77(48-61)96-89(97-79(72)53-94)101-83-23-13-9-19-69(83)74-45-58(33-43-85(74)101)59-30-38-70-66-16-6-10-20-80(66)98(86(70)46-59)63-14-4-3-5-15-63)50-54-24-26-55(27-25-54)56-28-36-64(37-29-56)99-81-21-11-7-17-67(81)71-39-31-60(47-87(71)99)57-32-42-84-73(44-57)68-18-8-12-22-82(68)100(84)88-76(52-93)75(51-92)65-41-35-62(91)49-78(65)95-88/h3-49H,50H2,1-2H3.
What are the key properties of 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile?
2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile has a molecular weight of 1295.50 g/mol, XLogP of 21.84, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[4-[4-[2-[4-cyano-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazolin-7-yl]-2-methylpropyl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-7-fluoroquinoline-3,4-dicarbonitrile is sourced from PubChem (CID 130179529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).