N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine

C174H113N6O2PS3 — CID 159933102

About N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine

N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine (PubChem CID 159933102) has the molecular formula C174H113N6O2PS3 and a molecular weight of 2447.03 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine
• PubChem CID: 159933102
• Molecular Formula: C174H113N6O2PS3
• Molecular Weight: 2447.03 g/mol
• Exact Mass: 2444.78
• IUPAC Name: N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc21.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4sc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C61H39N2OPS.C58H40N2S.C55H34N2OS/c64-65(44-19-5-2-6-20-44)56-31-13-10-26-50(56)61(49-25-9-12-29-54(49)63-53-28-11-7-21-45(53)47-23-15-27-52(61)59(47)63)51-38-37-43(39-57(51)65)62(42-35-33-41(34-36-42)40-17-3-1-4-18-40)55-30-16-24-48-46-22-8-14-32-58(46)66-60(48)55;1-57(2)45-22-8-9-23-46(45)58(48-24-10-12-27-52(48)60-51-26-11-6-18-41(51)43-20-14-25-49(58)55(43)60)47-35-34-40(36-50(47)57)59(39-32-30-38(31-33-39)37-16-4-3-5-17-37)53-28-15-21-44-42-19-7-13-29-54(42)61-56(44)53;1-2-13-35(14-3-1)36-25-27-37(28-26-36)56(38-30-32-53-43(33-38)41-16-5-11-24-52(41)59-53)39-29-31-46-51(34-39)58-50-23-10-7-19-45(50)55(46)44-18-6-9-22-49(44)57-48-21-8-4-15-40(48)42-17-12-20-47(55)54(42)57/h1-39H;3-36H,1-2H3;1-34H
• InChIKey: NZWXDMPRDJTTHL-UHFFFAOYSA-N
• XLogP: 45.65
• TPSA: 50.81 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2447.03
LogP ≤ 5	45.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine?

The IUPAC name of N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine (CID 159933102) is N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine.

What is the SMILES notation for N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine?

The canonical SMILES for N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc21.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4sc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine?

The InChIKey is NZWXDMPRDJTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N2OPS.C58H40N2S.C55H34N2OS/c64-65(44-19-5-2-6-20-44)56-31-13-10-26-50(56)61(49-25-9-12-29-54(49)63-53-28-11-7-21-45(53)47-23-15-27-52(61)59(47)63)51-38-37-43(39-57(51)65)62(42-35-33-41(34-36-42)40-17-3-1-4-18-40)55-30-16-24-48-46-22-8-14-32-58(46)66-60(48)55;1-57(2)45-22-8-9-23-46(45)58(48-24-10-12-27-52(48)60-51-26-11-6-18-41(51)43-20-14-25-49(58)55(43)60)47-35-34-40(36-50(47)57)59(39-32-30-38(31-33-39)37-16-4-3-5-17-37)53-28-15-21-44-42-19-7-13-29-54(42)61-56(44)53;1-2-13-35(14-3-1)36-25-27-37(28-26-36)56(38-30-32-53-43(33-38)41-16-5-11-24-52(41)59-53)39-29-31-46-51(34-39)58-50-23-10-7-19-45(50)55(46)44-18-6-9-22-49(44)57-48-21-8-4-15-40(48)42-17-12-20-47(55)54(42)57/h1-39H;3-36H,1-2H3;1-34H.

What are the key properties of N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine?

N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine has a molecular weight of 2447.03 g/mol, XLogP of 45.65, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-4-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;N-dibenzothiophen-4-yl-5'-oxo-5'-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine is sourced from PubChem (CID 159933102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).