5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one

C159H121N13O5 — CID 160580844

IUPAC5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1=O.CN1Cc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2C1=O.CN1Cc2cc(N(c3ccccc3)c3ccccc3)ccc2C1=O
InChIInChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O.C21H18N2O/c1-46-31-32-28-37(22-25-40(32)45(46)50)49-43-26-23-38(47(33-14-6-2-7-15-33)34-16-8-3-9-17-34)29-41(43)42-30-39(24-27-44(42)49)48(35-18-10-4-11-19-35)36-20-12-5-13-21-36;1-34-20-21-18-22(14-16-24(21)33(34)37)35-31-13-7-4-10-27(31)28-19-23(15-17-32(28)35)36-29-11-5-2-8-25(29)26-9-3-6-12-30(26)36;1-34-21-26-18-27(14-15-28(26)33(34)36)35-31-16-12-24(22-8-4-2-5-9-22)19-29(31)30-20-25(13-17-32(30)35)23-10-6-3-7-11-23;1-28-19-22-18-21(14-17-26(22)27(28)30)20-12-15-25(16-13-20)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24;1-22-15-16-14-19(12-13-20(16)21(22)24)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3;2-14H,15H2,1H3
InChIKeyRBTKPAKPPUPFBJ-UHFFFAOYSA-N
MW2293.80 g/mol
LogP37.63
Rot. Bonds19

About 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one

5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one (PubChem CID 160580844) has the molecular formula C159H121N13O5 and a molecular weight of 2293.80 g/mol. Its IUPAC name is 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one
PubChem CID160580844
Molecular FormulaC159H121N13O5
Molecular Weight2293.80 g/mol
Exact Mass2291.96
IUPAC Name5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1=O.CN1Cc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2C1=O.CN1Cc2cc(N(c3ccccc3)c3ccccc3)ccc2C1=O
InChIInChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O.C21H18N2O/c1-46-31-32-28-37(22-25-40(32)45(46)50)49-43-26-23-38(47(33-14-6-2-7-15-33)34-16-8-3-9-17-34)29-41(43)42-30-39(24-27-44(42)49)48(35-18-10-4-11-19-35)36-20-12-5-13-21-36;1-34-20-21-18-22(14-16-24(21)33(34)37)35-31-13-7-4-10-27(31)28-19-23(15-17-32(28)35)36-29-11-5-2-8-25(29)26-9-3-6-12-30(26)36;1-34-21-26-18-27(14-15-28(26)33(34)36)35-31-16-12-24(22-8-4-2-5-9-22)19-29(31)30-20-25(13-17-32(30)35)23-10-6-3-7-11-23;1-28-19-22-18-21(14-17-26(22)27(28)30)20-12-15-25(16-13-20)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24;1-22-15-16-14-19(12-13-20(16)21(22)24)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3;2-14H,15H2,1H3
InChIKeyRBTKPAKPPUPFBJ-UHFFFAOYSA-N
XLogP37.63
TPSA134.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.80
LogP ≤ 537.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one with MolForge

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Related Compounds

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CID 11281613
9,19-Dimethyl-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaen-8-one
CID 44408130
3-(13,23-Dimethyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile
CID 465400
13-Methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione
CID 11395174
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CID 380390
2-[[2-[10,15,20-Tris[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]isoindole-1,3-dione
CID 16129777
13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 392068
9-Benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 399652
2,6-dimethyl-4-phenyl-3H-pyrrolo[3,4-c]carbazol-1-one
CID 44271142
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CID 6481887
3,13,23-Trimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 392067
Bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]methanone
CID 102197207

Frequently Asked Questions

What is the IUPAC name of 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one?
The IUPAC name of 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one (CID 160580844) is 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one is CN1Cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1=O.CN1Cc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C1=O.CN1Cc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2C1=O.CN1Cc2cc(N(c3ccccc3)c3ccccc3)ccc2C1=O.
What is the InChIKey of 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one?
The InChIKey is RBTKPAKPPUPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O.C21H18N2O/c1-46-31-32-28-37(22-25-40(32)45(46)50)49-43-26-23-38(47(33-14-6-2-7-15-33)34-16-8-3-9-17-34)29-41(43)42-30-39(24-27-44(42)49)48(35-18-10-4-11-19-35)36-20-12-5-13-21-36;1-34-20-21-18-22(14-16-24(21)33(34)37)35-31-13-7-4-10-27(31)28-19-23(15-17-32(28)35)36-29-11-5-2-8-25(29)26-9-3-6-12-30(26)36;1-34-21-26-18-27(14-15-28(26)33(34)36)35-31-16-12-24(22-8-4-2-5-9-22)19-29(31)30-20-25(13-17-32(30)35)23-10-6-3-7-11-23;1-28-19-22-18-21(14-17-26(22)27(28)30)20-12-15-25(16-13-20)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24;1-22-15-16-14-19(12-13-20(16)21(22)24)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3;2-14H,15H2,1H3.
What are the key properties of 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one?
5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one has a molecular weight of 2293.80 g/mol, XLogP of 37.63, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,6-bis(N-phenylanilino)carbazol-9-yl]-2-methyl-3H-isoindol-1-one;5-(3-carbazol-9-ylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;5-(3,6-diphenylcarbazol-9-yl)-2-methyl-3H-isoindol-1-one;2-methyl-5-(N-phenylanilino)-3H-isoindol-1-one;2-methyl-5-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 160580844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).