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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one

C138H103N11O4 — CID 159248398

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-[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
InChIInChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O/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/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3
InChIKeyKUYWRKFBKATFPV-UHFFFAOYSA-N
MW1979.41 g/mol
LogP32.89
Rot. Bonds16

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-[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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one (PubChem CID 159248398) has the molecular formula C138H103N11O4 and a molecular weight of 1979.41 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-[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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one
PubChem CID159248398
Molecular FormulaC138H103N11O4
Molecular Weight1979.41 g/mol
Exact Mass1977.82
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-[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
InChIInChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O/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/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3
InChIKeyKUYWRKFBKATFPV-UHFFFAOYSA-N
XLogP32.89
TPSA110.68 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.41
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one with MolForge

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Related Compounds

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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-[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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one (CID 159248398) 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-[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-[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-[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.
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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one?
The InChIKey is KUYWRKFBKATFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O.C33H23N3O.C33H24N2O.C27H22N2O/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/h2-30H,31H2,1H3;2-19H,20H2,1H3;2-20H,21H2,1H3;2-18H,19H2,1H3.
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-[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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one has a molecular weight of 1979.41 g/mol, XLogP of 32.89, 16 rotatable bonds, 0 hydrogen bond donors, and 11 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-[4-(N-phenylanilino)phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 159248398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).