7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile

C164H97FN18 — CID 162228767

IUPAC7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)nc2cc(F)ccc12.N#Cc1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12
InChIInChI=1S/C46H28N4.C40H24N4.C39H22FN5.C39H23N5/c47-29-39-34-17-7-10-20-40(34)48-46(45(39)30-13-3-1-4-14-30)50-42-22-12-8-18-35(42)37-25-23-32(28-44(37)50)31-24-26-43-38(27-31)36-19-9-11-21-41(36)49(43)33-15-5-2-6-16-33;41-25-28-24-40(42-35-15-7-4-12-30(28)35)44-37-17-9-5-13-31(37)33-20-18-27(23-39(33)44)26-19-21-38-34(22-26)32-14-6-8-16-36(32)43(38)29-10-2-1-3-11-29;40-26-16-18-31-33(22-26)42-39(43-34(31)23-41)45-36-13-7-5-11-29(36)32-20-24(15-19-37(32)45)25-14-17-30-28-10-4-6-12-35(28)44(38(30)21-25)27-8-2-1-3-9-27;40-24-34-31-14-4-7-15-33(31)41-39(42-34)44-36-17-9-5-12-28(36)30-20-18-26(23-38(30)44)25-19-21-37-32(22-25)29-13-6-8-16-35(29)43(37)27-10-2-1-3-11-27/h1-28H;1-24H;1-22H;1-23H
InChIKeyZVCWPCWLEISOCN-UHFFFAOYSA-N
MW2338.70 g/mol
LogP40.47
Rot. Bonds13

About 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile

7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile (PubChem CID 162228767) has the molecular formula C164H97FN18 and a molecular weight of 2338.70 g/mol. Its IUPAC name is 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile
PubChem CID162228767
Molecular FormulaC164H97FN18
Molecular Weight2338.70 g/mol
Exact Mass2336.81
IUPAC Name7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)nc2cc(F)ccc12.N#Cc1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12
InChIInChI=1S/C46H28N4.C40H24N4.C39H22FN5.C39H23N5/c47-29-39-34-17-7-10-20-40(34)48-46(45(39)30-13-3-1-4-14-30)50-42-22-12-8-18-35(42)37-25-23-32(28-44(37)50)31-24-26-43-38(27-31)36-19-9-11-21-41(36)49(43)33-15-5-2-6-16-33;41-25-28-24-40(42-35-15-7-4-12-30(28)35)44-37-17-9-5-13-31(37)33-20-18-27(23-39(33)44)26-19-21-38-34(22-26)32-14-6-8-16-36(32)43(38)29-10-2-1-3-11-29;40-26-16-18-31-33(22-26)42-39(43-34(31)23-41)45-36-13-7-5-11-29(36)32-20-24(15-19-37(32)45)25-14-17-30-28-10-4-6-12-35(28)44(38(30)21-25)27-8-2-1-3-9-27;40-24-34-31-14-4-7-15-33(31)41-39(42-34)44-36-17-9-5-12-28(36)30-20-18-26(23-38(30)44)25-19-21-37-32(22-25)29-13-6-8-16-35(29)43(37)27-10-2-1-3-11-27/h1-28H;1-24H;1-22H;1-23H
InChIKeyZVCWPCWLEISOCN-UHFFFAOYSA-N
XLogP40.47
TPSA211.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.70
LogP ≤ 540.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The IUPAC name of 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile (CID 162228767) is 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The canonical SMILES for 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)nc2cc(F)ccc12.N#Cc1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.
What is the InChIKey of 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile?
The InChIKey is ZVCWPCWLEISOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C40H24N4.C39H22FN5.C39H23N5/c47-29-39-34-17-7-10-20-40(34)48-46(45(39)30-13-3-1-4-14-30)50-42-22-12-8-18-35(42)37-25-23-32(28-44(37)50)31-24-26-43-38(27-31)36-19-9-11-21-41(36)49(43)33-15-5-2-6-16-33;41-25-28-24-40(42-35-15-7-4-12-30(28)35)44-37-17-9-5-13-31(37)33-20-18-27(23-39(33)44)26-19-21-38-34(22-26)32-14-6-8-16-36(32)43(38)29-10-2-1-3-11-29;40-26-16-18-31-33(22-26)42-39(43-34(31)23-41)45-36-13-7-5-11-29(36)32-20-24(15-19-37(32)45)25-14-17-30-28-10-4-6-12-35(28)44(38(30)21-25)27-8-2-1-3-9-27;40-24-34-31-14-4-7-15-33(31)41-39(42-34)44-36-17-9-5-12-28(36)30-20-18-26(23-38(30)44)25-19-21-37-32(22-25)29-13-6-8-16-35(29)43(37)27-10-2-1-3-11-27/h1-28H;1-24H;1-22H;1-23H.
What are the key properties of 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile?
7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile has a molecular weight of 2338.70 g/mol, XLogP of 40.47, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 162228767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).