2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile

C146H88N14 — CID 159941374

IUPAC2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12
InChIInChI=1S/C52H32N4.C51H31N5.C43H25N5/c53-33-40-32-52(54-47-20-9-7-18-42(40)47)56-48-21-10-8-19-43(48)44-30-38(24-27-51(44)56)39-23-26-50-46(31-39)45-29-37(35-14-5-2-6-15-35)22-25-49(45)55(50)41-17-11-16-36(28-41)34-12-3-1-4-13-34;52-32-46-41-19-7-9-20-45(41)53-51(54-46)56-47-21-10-8-18-40(47)42-30-37(24-27-50(42)56)38-23-26-49-44(31-38)43-29-36(34-14-5-2-6-15-34)22-25-48(43)55(49)39-17-11-16-35(28-39)33-12-3-1-4-13-33;44-26-37-32-17-6-9-19-36(32)45-43(46-37)48-39-21-11-8-18-33(39)42-31-16-5-4-14-29(31)34(25-41(42)48)27-22-23-40-35(24-27)30-15-7-10-20-38(30)47(40)28-12-2-1-3-13-28/h1-32H;1-31H;1-25H
InChIKeyOAXQLOJTXIZSDA-UHFFFAOYSA-N
MW2038.41 g/mol
LogP36.51
Rot. Bonds13

About 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile

2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile (PubChem CID 159941374) has the molecular formula C146H88N14 and a molecular weight of 2038.41 g/mol. Its IUPAC name is 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile
PubChem CID159941374
Molecular FormulaC146H88N14
Molecular Weight2038.41 g/mol
Exact Mass2036.73
IUPAC Name2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12
InChIInChI=1S/C52H32N4.C51H31N5.C43H25N5/c53-33-40-32-52(54-47-20-9-7-18-42(40)47)56-48-21-10-8-19-43(48)44-30-38(24-27-51(44)56)39-23-26-50-46(31-39)45-29-37(35-14-5-2-6-15-35)22-25-49(45)55(50)41-17-11-16-36(28-41)34-12-3-1-4-13-34;52-32-46-41-19-7-9-20-45(41)53-51(54-46)56-47-21-10-8-18-40(47)42-30-37(24-27-50(42)56)38-23-26-49-44(31-38)43-29-36(34-14-5-2-6-15-34)22-25-48(43)55(49)39-17-11-16-35(28-39)33-12-3-1-4-13-33;44-26-37-32-17-6-9-19-36(32)45-43(46-37)48-39-21-11-8-18-33(39)42-31-16-5-4-14-29(31)34(25-41(42)48)27-22-23-40-35(24-27)30-15-7-10-20-38(30)47(40)28-12-2-1-3-13-28/h1-32H;1-31H;1-25H
InChIKeyOAXQLOJTXIZSDA-UHFFFAOYSA-N
XLogP36.51
TPSA165.40 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002038.41
LogP ≤ 536.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile (CID 159941374) is 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2ccccc12.
What is the InChIKey of 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile?
The InChIKey is OAXQLOJTXIZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C51H31N5.C43H25N5/c53-33-40-32-52(54-47-20-9-7-18-42(40)47)56-48-21-10-8-19-43(48)44-30-38(24-27-51(44)56)39-23-26-50-46(31-39)45-29-37(35-14-5-2-6-15-35)22-25-49(45)55(50)41-17-11-16-36(28-41)34-12-3-1-4-13-34;52-32-46-41-19-7-9-20-45(41)53-51(54-46)56-47-21-10-8-18-40(47)42-30-37(24-27-50(42)56)38-23-26-49-44(31-38)43-29-36(34-14-5-2-6-15-34)22-25-48(43)55(49)39-17-11-16-35(28-39)33-12-3-1-4-13-33;44-26-37-32-17-6-9-19-36(32)45-43(46-37)48-39-21-11-8-18-33(39)42-31-16-5-4-14-29(31)34(25-41(42)48)27-22-23-40-35(24-27)30-15-7-10-20-38(30)47(40)28-12-2-1-3-13-28/h1-32H;1-31H;1-25H.
What are the key properties of 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile?
2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile has a molecular weight of 2038.41 g/mol, XLogP of 36.51, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 159941374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).