2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C124H78N8O8 — CID 159014832

About 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 159014832) has the molecular formula C124H78N8O8 and a molecular weight of 1808.04 g/mol. Its IUPAC name is 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

• Compound Name: 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• PubChem CID: 159014832
• Molecular Formula: C124H78N8O8
• Molecular Weight: 1808.04 g/mol
• Exact Mass: 1806.59
• IUPAC Name: 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• SMILES: O=C1c2cc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3c4c(cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O.O=C1c2ccc3c4c(c(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O
• InChI: InChI=1S/C62H39N5O4.C62H39N3O4/c68-59-48-33-34-49-57-56(48)52(61(70)65(59)44-27-15-5-16-28-44)39-55(58(57)62(71)66(60(49)69)45-29-17-6-18-30-45)67-53-35-31-46(63(40-19-7-1-8-20-40)41-21-9-2-10-22-41)37-50(53)51-38-47(32-36-54(51)67)64(42-23-11-3-12-24-42)43-25-13-4-14-26-43;66-59-53-38-51(41-32-34-50(35-33-41)63(46-24-8-2-9-25-46)47-26-10-3-11-27-47)57-55-54(60(67)64(61(57)68)48-28-12-4-13-29-48)39-52(58(56(53)55)62(69)65(59)49-30-14-5-15-31-49)45-23-17-22-44(37-45)43-21-16-20-42(36-43)40-18-6-1-7-19-40/h1-39H;1-39H
• InChIKey: JSYMQFLKWCCCMW-UHFFFAOYSA-N
• XLogP: 29.06
• TPSA: 164.17 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.04
LogP ≤ 5	29.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The IUPAC name of 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 159014832) is 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

What is the SMILES notation for 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The canonical SMILES for 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2cc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3c4c(cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O.O=C1c2ccc3c4c(c(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc(c24)C(=O)N1c1ccccc1)C(=O)N(c1ccccc1)C3=O.

What is the InChIKey of 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The InChIKey is JSYMQFLKWCCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5O4.C62H39N3O4/c68-59-48-33-34-49-57-56(48)52(61(70)65(59)44-27-15-5-16-28-44)39-55(58(57)62(71)66(60(49)69)45-29-17-6-18-30-45)67-53-35-31-46(63(40-19-7-1-8-20-40)41-21-9-2-10-22-41)37-50(53)51-38-47(32-36-54(51)67)64(42-23-11-3-12-24-42)43-25-13-4-14-26-43;66-59-53-38-51(41-32-34-50(35-33-41)63(46-24-8-2-9-25-46)47-26-10-3-11-27-47)57-55-54(60(67)64(61(57)68)48-28-12-4-13-29-48)39-52(58(56(53)55)62(69)65(59)49-30-14-5-15-31-49)45-23-17-22-44(37-45)43-21-16-20-42(36-43)40-18-6-1-7-19-40/h1-39H;1-39H.

What are the key properties of 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 1808.04 g/mol, XLogP of 29.06, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone;6,13-diphenyl-2-[4-(N-phenylanilino)phenyl]-9-[3-(3-phenylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 159014832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).