4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine

C170H100F17N13 — CID 158131422

IUPAC4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4F)ccc32)c(F)c1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1
InChIInChI=1S/C43H24F4N4.C43H27F4N3.C42H24F5N3.C42H25F4N3/c44-27-11-17-42(36(46)21-27)50-38-7-3-1-5-32(38)34-23-30(15-19-40(34)50)49(29-13-9-26(25-48)10-14-29)31-16-20-41-35(24-31)33-6-2-4-8-39(33)51(41)43-18-12-28(45)22-37(43)47;1-26-10-14-29(15-11-26)48(30-16-20-40-34(24-30)32-6-2-4-8-38(32)49(40)42-18-12-27(44)22-36(42)46)31-17-21-41-35(25-31)33-7-3-5-9-39(33)50(41)43-19-13-28(45)23-37(43)47;43-25-9-13-28(14-10-25)48(29-15-19-39-33(23-29)31-5-1-3-7-37(31)49(39)41-17-11-26(44)21-35(41)46)30-16-20-40-34(24-30)32-6-2-4-8-38(32)50(40)42-18-12-27(45)22-36(42)47;43-26-14-18-41(35(45)22-26)48-37-12-6-4-10-31(37)33-24-29(16-20-39(33)48)47(28-8-2-1-3-9-28)30-17-21-40-34(25-30)32-11-5-7-13-38(32)49(40)42-19-15-27(44)23-36(42)46/h1-24H;2-25H,1H3;1-24H;1-25H
InChIKeyFSUZFHJAQLNKPD-UHFFFAOYSA-N
MW2647.73 g/mol
LogP47.95
Rot. Bonds20

About 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine

4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine (PubChem CID 158131422) has the molecular formula C170H100F17N13 and a molecular weight of 2647.73 g/mol. Its IUPAC name is 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine.

Molecular Properties

Compound Name4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
PubChem CID158131422
Molecular FormulaC170H100F17N13
Molecular Weight2647.73 g/mol
Exact Mass2645.80
IUPAC Name4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4F)ccc32)c(F)c1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1
InChIInChI=1S/C43H24F4N4.C43H27F4N3.C42H24F5N3.C42H25F4N3/c44-27-11-17-42(36(46)21-27)50-38-7-3-1-5-32(38)34-23-30(15-19-40(34)50)49(29-13-9-26(25-48)10-14-29)31-16-20-41-35(24-31)33-6-2-4-8-39(33)51(41)43-18-12-28(45)22-37(43)47;1-26-10-14-29(15-11-26)48(30-16-20-40-34(24-30)32-6-2-4-8-38(32)49(40)42-18-12-27(44)22-36(42)46)31-17-21-41-35(25-31)33-7-3-5-9-39(33)50(41)43-19-13-28(45)23-37(43)47;43-25-9-13-28(14-10-25)48(29-15-19-39-33(23-29)31-5-1-3-7-37(31)49(39)41-17-11-26(44)21-35(41)46)30-16-20-40-34(24-30)32-6-2-4-8-38(32)50(40)42-18-12-27(45)22-36(42)47;43-26-14-18-41(35(45)22-26)48-37-12-6-4-10-31(37)33-24-29(16-20-39(33)48)47(28-8-2-1-3-9-28)30-17-21-40-34(25-30)32-11-5-7-13-38(32)49(40)42-19-15-27(44)23-36(42)46/h1-24H;2-25H,1H3;1-24H;1-25H
InChIKeyFSUZFHJAQLNKPD-UHFFFAOYSA-N
XLogP47.95
TPSA76.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.73
LogP ≤ 547.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine with MolForge

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Related Compounds

4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
CID 135128753
9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
CID 59844902
5-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126734487
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
4-(N-[3-carbazol-9-yl-5-(3,6-dimethylcarbazol-9-yl)phenyl]-4-cyanoanilino)benzonitrile
CID 154990023
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
2-[3,6-bis(N-(4-cyanophenyl)anilino)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126734678
4-[4-[3,5-bis[3-(N-phenylanilino)carbazol-9-yl]phenyl]-2,3-dimethylphenyl]benzonitrile
CID 130353387
5-N,10-N-bis(4-fluorophenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;5-N,10-N-bis(4-methylphenyl)-5-N,10-N-bis(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine;4-[[10-(4-cyano-N-(9-phenylcarbazol-3-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile
CID 165080808
4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 139523617

Frequently Asked Questions

What is the IUPAC name of 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine?
The IUPAC name of 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine (CID 158131422) is 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine.
What is the SMILES notation for 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine?
The canonical SMILES for 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine is Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4F)ccc32)c(F)c1.Fc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.N#Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine?
The InChIKey is FSUZFHJAQLNKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24F4N4.C43H27F4N3.C42H24F5N3.C42H25F4N3/c44-27-11-17-42(36(46)21-27)50-38-7-3-1-5-32(38)34-23-30(15-19-40(34)50)49(29-13-9-26(25-48)10-14-29)31-16-20-41-35(24-31)33-6-2-4-8-39(33)51(41)43-18-12-28(45)22-37(43)47;1-26-10-14-29(15-11-26)48(30-16-20-40-34(24-30)32-6-2-4-8-38(32)49(40)42-18-12-27(44)22-36(42)46)31-17-21-41-35(25-31)33-7-3-5-9-39(33)50(41)43-19-13-28(45)23-37(43)47;43-25-9-13-28(14-10-25)48(29-15-19-39-33(23-29)31-5-1-3-7-37(31)49(39)41-17-11-26(44)21-35(41)46)30-16-20-40-34(24-30)32-6-2-4-8-38(32)50(40)42-18-12-27(45)22-36(42)47;43-26-14-18-41(35(45)22-26)48-37-12-6-4-10-31(37)33-24-29(16-20-39(33)48)47(28-8-2-1-3-9-28)30-17-21-40-34(25-30)32-11-5-7-13-38(32)49(40)42-19-15-27(44)23-36(42)46/h1-24H;2-25H,1H3;1-24H;1-25H.
What are the key properties of 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine?
4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine has a molecular weight of 2647.73 g/mol, XLogP of 47.95, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[9-(2,4-difluorophenyl)carbazol-3-yl]amino]benzonitrile;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-fluorophenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine;9-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)carbazol-3-yl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 158131422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).