N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C167H113N9OS2 — CID 159772087

About N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 159772087) has the molecular formula C167H113N9OS2 and a molecular weight of 2325.94 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
• PubChem CID: 159772087
• Molecular Formula: C167H113N9OS2
• Molecular Weight: 2325.94 g/mol
• Exact Mass: 2323.85
• IUPAC Name: N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(N5c6ccccc6Cc6c5n(-c5ccccc5)c5ccccc65)cc4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(N4c5ccccc5Cc5c4n(-c4ccccc4)c4ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-n2c3c(c4ccccc42)Cc2ccccc2N3c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C57H39N3O.C57H39N3S.C53H35N3S/c1-3-15-39(16-4-1)47-20-8-9-21-48(47)40-27-29-43(30-28-40)58(46-35-36-51-50-23-11-14-26-55(50)61-56(51)38-46)44-31-33-45(34-32-44)59-53-24-12-7-17-41(53)37-52-49-22-10-13-25-54(49)60(57(52)59)42-18-5-2-6-19-42;1-3-14-39(15-4-1)40-26-28-41(29-27-40)42-30-32-45(33-31-42)58(54-24-13-21-50-49-20-9-12-25-55(49)61-56(50)54)46-34-36-47(37-35-46)59-52-22-10-7-16-43(52)38-51-48-19-8-11-23-53(48)60(57(51)59)44-17-5-2-6-18-44;1-2-14-38(15-3-1)56-50-20-10-7-17-45(50)48-33-37-13-5-9-19-49(37)55(53(48)56)40-26-24-39(25-27-40)54(42-29-31-52-47(34-42)46-18-8-11-21-51(46)57-52)41-28-30-44-36(32-41)23-22-35-12-4-6-16-43(35)44/h1-36,38H,37H2;1-37H,38H2;1-32,34H,33H2
• InChIKey: NGGAASMYVPMNTL-UHFFFAOYSA-N
• XLogP: 47.03
• TPSA: 47.37 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.94
LogP ≤ 5	47.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?

The IUPAC name of N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 159772087) is N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

What is the SMILES notation for N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?

The canonical SMILES for N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(N5c6ccccc6Cc6c5n(-c5ccccc5)c5ccccc65)cc4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(N4c5ccccc5Cc5c4n(-c4ccccc4)c4ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-n2c3c(c4ccccc42)Cc2ccccc2N3c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?

The InChIKey is NGGAASMYVPMNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O.C57H39N3S.C53H35N3S/c1-3-15-39(16-4-1)47-20-8-9-21-48(47)40-27-29-43(30-28-40)58(46-35-36-51-50-23-11-14-26-55(50)61-56(51)38-46)44-31-33-45(34-32-44)59-53-24-12-7-17-41(53)37-52-49-22-10-13-25-54(49)60(57(52)59)42-18-5-2-6-19-42;1-3-14-39(15-4-1)40-26-28-41(29-27-40)42-30-32-45(33-31-42)58(54-24-13-21-50-49-20-9-12-25-55(49)61-56(50)54)46-34-36-47(37-35-46)59-52-22-10-7-16-43(52)38-51-48-19-8-11-23-53(48)60(57(51)59)44-17-5-2-6-18-44;1-2-14-38(15-3-1)56-50-20-10-7-17-45(50)48-33-37-13-5-9-19-49(37)55(53(48)56)40-26-24-39(25-27-40)54(42-29-31-52-47(34-42)46-18-8-11-21-51(46)57-52)41-28-30-44-36(32-41)23-22-35-12-4-6-16-43(35)44/h1-36,38H,37H2;1-37H,38H2;1-32,34H,33H2.

What are the key properties of N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?

N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2325.94 g/mol, XLogP of 47.03, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenanthren-2-yl-N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]dibenzothiophen-2-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[4-(6-phenyl-11H-indolo[2,3-b]quinolin-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 159772087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).