N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)

C125H96N10 — CID 159977015

About N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)

N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole) (PubChem CID 159977015) has the molecular formula C125H96N10 and a molecular weight of 1738.21 g/mol. Its IUPAC name is N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole).

Molecular Properties

• Compound Name: N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)
• PubChem CID: 159977015
• Molecular Formula: C125H96N10
• Molecular Weight: 1738.21 g/mol
• Exact Mass: 1736.78
• IUPAC Name: N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)
• SMILES: C=C/C=C(\C=C)n1c2ccccc2c2c1c1ccccc1n2-c1ccccc1.C=C/C=C(\C=C)n1c2ccccc2c2c3ccccc3n(-c3ccccc3)c21.C=C/C=C(\C=C)n1c2ccccc2n2c3ccccc3nc12.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C26H20N2.C19H15N3.2C18H13N.C18H15N/c1-3-12-19(4-2)27-23-17-10-8-15-21(23)26-25(27)22-16-9-11-18-24(22)28(26)20-13-6-5-7-14-20;1-3-12-19(4-2)27-23-17-10-8-15-21(23)25-22-16-9-11-18-24(22)28(26(25)27)20-13-6-5-7-14-20;1-3-9-14(4-2)21-17-12-7-8-13-18(17)22-16-11-6-5-10-15(16)20-19(21)22;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*3-18H,1-2H2;3-13H,1-2H2;2*1-13H;1-15H/b2*19-12+;14-9+
• InChIKey: OFHBUJWGUYMONG-CSPZAWMZSA-N
• XLogP: 33.28
• TPSA: 55.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1738.21
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)?

The IUPAC name of N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole) (CID 159977015) is N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole).

What is the SMILES notation for N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)?

The canonical SMILES for N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole) is C=C/C=C(\C=C)n1c2ccccc2c2c1c1ccccc1n2-c1ccccc1.C=C/C=C(\C=C)n1c2ccccc2c2c3ccccc3n(-c3ccccc3)c21.C=C/C=C(\C=C)n1c2ccccc2n2c3ccccc3nc12.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)?

The InChIKey is OFHBUJWGUYMONG-CSPZAWMZSA-N. The full InChI is InChI=1S/2C26H20N2.C19H15N3.2C18H13N.C18H15N/c1-3-12-19(4-2)27-23-17-10-8-15-21(23)26-25(27)22-16-9-11-18-24(22)28(26)20-13-6-5-7-14-20;1-3-12-19(4-2)27-23-17-10-8-15-21(23)25-22-16-9-11-18-24(22)28(26(25)27)20-13-6-5-7-14-20;1-3-9-14(4-2)21-17-12-7-8-13-18(17)22-16-11-6-5-10-15(16)20-19(21)22;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*3-18H,1-2H2;3-13H,1-2H2;2*1-13H;1-15H/b2*19-12+;14-9+;;;.

What are the key properties of N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole)?

N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole) has a molecular weight of 1738.21 g/mol, XLogP of 33.28, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenylaniline;5-[(3E)-hexa-1,3,5-trien-3-yl]benzimidazolo[1,2-a]benzimidazole;5-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylindolo[2,3-b]indole;10-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylindolo[3,2-b]indole;bis(9-phenylcarbazole) is sourced from PubChem (CID 159977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).