N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

C122H74N4S2 — CID 167177216

About N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (PubChem CID 167177216) has the molecular formula C122H74N4S2 and a molecular weight of 1660.10 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• PubChem CID: 167177216
• Molecular Formula: C122H74N4S2
• Molecular Weight: 1660.10 g/mol
• Exact Mass: 1658.54
• IUPAC Name: N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4cccc5sc6c(-c7ccc8c(c7)c7cccc9c7n8-c7ccccc7C97c8ccccc8-c8c(N(c9ccc(-c%10cccc%11c%10sc%10ccccc%10%11)cc9)c9cccc(-c%10ccccc%10)c9)cccc87)cccc6c45)cc3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C122H74N4S2/c1-3-27-75(28-4-1)79-31-19-33-84(71-79)123(86-68-69-104-112(74-86)126-108-54-16-10-37-92(108)94-43-23-52-106(117(94)126)121(104)100-47-12-7-35-90(100)91-36-8-13-48-101(91)121)82-64-59-77(60-65-82)87-40-25-58-114-115(87)98-46-22-42-89(120(98)128-114)81-63-70-109-99(73-81)95-44-24-53-107-118(95)125(109)110-55-17-15-50-103(110)122(107)102-49-14-9-39-97(102)116-105(122)51-26-56-111(116)124(85-34-20-32-80(72-85)76-29-5-2-6-30-76)83-66-61-78(62-67-83)88-41-21-45-96-93-38-11-18-57-113(93)127-119(88)96/h1-74H
• InChIKey: DKYNNDMVVNILPL-UHFFFAOYSA-N
• XLogP: 33.24
• TPSA: 16.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1660.10
LogP ≤ 5	33.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (CID 167177216) is N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5sc6c(-c7ccc8c(c7)c7cccc9c7n8-c7ccccc7C97c8ccccc8-c8c(N(c9ccc(-c%10cccc%11c%10sc%10ccccc%10%11)cc9)c9cccc(-c%10ccccc%10)c9)cccc87)cccc6c45)cc3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The InChIKey is DKYNNDMVVNILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H74N4S2/c1-3-27-75(28-4-1)79-31-19-33-84(71-79)123(86-68-69-104-112(74-86)126-108-54-16-10-37-92(108)94-43-23-52-106(117(94)126)121(104)100-47-12-7-35-90(100)91-36-8-13-48-101(91)121)82-64-59-77(60-65-82)87-40-25-58-114-115(87)98-46-22-42-89(120(98)128-114)81-63-70-109-99(73-81)95-44-24-53-107-118(95)125(109)110-55-17-15-50-103(110)122(107)102-49-14-9-39-97(102)116-105(122)51-26-56-111(116)124(85-34-20-32-80(72-85)76-29-5-2-6-30-76)83-66-61-78(62-67-83)88-41-21-45-96-93-38-11-18-57-113(93)127-119(88)96/h1-74H.

What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine has a molecular weight of 1660.10 g/mol, XLogP of 33.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 167177216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).