N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline

C189H123N11OS3 — CID 159363471

About N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline

N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline (PubChem CID 159363471) has the molecular formula C189H123N11OS3 and a molecular weight of 2660.34 g/mol. Its IUPAC name is N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline
• PubChem CID: 159363471
• Molecular Formula: C189H123N11OS3
• Molecular Weight: 2660.34 g/mol
• Exact Mass: 2657.91
• IUPAC Name: N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C63H42N4O.C63H42N4S.C63H39N3S2/c2*1-4-16-43(17-5-1)44-28-35-50(36-29-44)65(51-37-30-45(31-38-51)47-34-41-58-60(42-47)68-59-27-15-14-26-57(59)66(58)48-18-6-2-7-19-48)52-39-32-46(33-40-52)63-64-61-55-24-12-10-22-53(55)54-23-11-13-25-56(54)62(61)67(63)49-20-8-3-9-21-49;1-2-12-40(13-3-1)41-22-29-45(30-23-41)65(48-35-37-60-56(39-48)52-17-9-11-21-58(52)68-60)46-33-26-43(27-34-46)63-64-61-53-18-6-4-14-49(53)50-15-5-7-19-54(50)62(61)66(63)47-31-24-42(25-32-47)44-28-36-59-55(38-44)51-16-8-10-20-57(51)67-59/h2*1-42H;1-39H
• InChIKey: LIVCFBGHNRDMMG-UHFFFAOYSA-N
• XLogP: 53.65
• TPSA: 78.89 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.34
LogP ≤ 5	53.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline?

The IUPAC name of N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline (CID 159363471) is N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline.

What is the SMILES notation for N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline?

The canonical SMILES for N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline?

The InChIKey is LIVCFBGHNRDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O.C63H42N4S.C63H39N3S2/c2*1-4-16-43(17-5-1)44-28-35-50(36-29-44)65(51-37-30-45(31-38-51)47-34-41-58-60(42-47)68-59-27-15-14-26-57(59)66(58)48-18-6-2-7-19-48)52-39-32-46(33-40-52)63-64-61-55-24-12-10-22-53(55)54-23-11-13-25-56(54)62(61)67(63)49-20-8-3-9-21-49;1-2-12-40(13-3-1)41-22-29-45(30-23-41)65(48-35-37-60-56(39-48)52-17-9-11-21-58(52)68-60)46-33-26-43(27-34-46)63-64-61-53-18-6-4-14-49(53)50-15-5-7-19-54(50)62(61)66(63)47-31-24-42(25-32-47)44-28-36-59-55(38-44)51-16-8-10-20-57(51)67-59/h2*1-42H;1-39H.

What are the key properties of N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline?

N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline has a molecular weight of 2660.34 g/mol, XLogP of 53.65, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline is sourced from PubChem (CID 159363471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).