6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine

C123H81N5S3 — CID 158580581

About 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine

6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine (PubChem CID 158580581) has the molecular formula C123H81N5S3 and a molecular weight of 1725.24 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine.

Molecular Properties

• Compound Name: 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine
• PubChem CID: 158580581
• Molecular Formula: C123H81N5S3
• Molecular Weight: 1725.24 g/mol
• Exact Mass: 1723.57
• IUPAC Name: 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc43)cc21.c1ccc(N(c2ccc3c(c2)Sc2ccccc2N3c2ccccc2)c2ccc3c4cc(-c5cc6c7ccccc7sc6c6ccccc56)c5ccccc5c4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C62H39N3S2.C61H42N2S/c1-4-18-40(19-5-1)63(44-33-35-56-60(37-44)66-59-31-17-15-29-55(59)64(56)41-20-6-2-7-21-41)43-32-34-47-53-38-51(45-24-10-12-27-49(45)61(53)65(57(47)36-43)42-22-8-3-9-23-42)52-39-54-48-26-14-16-30-58(48)67-62(54)50-28-13-11-25-46(50)52;1-61(2)55-21-10-8-18-49(55)50-31-29-45(37-56(50)61)63-57-33-25-41(42-26-34-60-54(36-42)52-19-9-11-22-59(52)64-60)35-53(57)51-32-30-46(38-58(51)63)62(43-15-4-3-5-16-43)44-27-23-40(24-28-44)48-20-12-14-39-13-6-7-17-47(39)48/h1-39H;3-38H,1-2H3
• InChIKey: HTEZKQLBSQIZSO-UHFFFAOYSA-N
• XLogP: 35.94
• TPSA: 19.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1725.24
LogP ≤ 5	35.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine?

The IUPAC name of 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine (CID 158580581) is 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine.

What is the SMILES notation for 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine?

The canonical SMILES for 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc43)cc21.c1ccc(N(c2ccc3c(c2)Sc2ccccc2N3c2ccccc2)c2ccc3c4cc(-c5cc6c7ccccc7sc6c6ccccc56)c5ccccc5c4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine?

The InChIKey is HTEZKQLBSQIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3S2.C61H42N2S/c1-4-18-40(19-5-1)63(44-33-35-56-60(37-44)66-59-31-17-15-29-55(59)64(56)41-20-6-2-7-21-41)43-32-34-47-53-38-51(45-24-10-12-27-49(45)61(53)65(57(47)36-43)42-22-8-3-9-23-42)52-39-54-48-26-14-16-30-58(48)67-62(54)50-28-13-11-25-46(50)52;1-61(2)55-21-10-8-18-49(55)50-31-29-45(37-56(50)61)63-57-33-25-41(42-26-34-60-54(36-42)52-19-9-11-22-59(52)64-60)35-53(57)51-32-30-46(38-58(51)63)62(43-15-4-3-5-16-43)44-27-23-40(24-28-44)48-20-12-14-39-13-6-7-17-47(39)48/h1-39H;3-38H,1-2H3.

What are the key properties of 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine?

6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine has a molecular weight of 1725.24 g/mol, XLogP of 35.94, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dibenzothiophen-2-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-2-amine;N-(5-naphtho[1,2-b][1]benzothiol-5-yl-11-phenylbenzo[a]carbazol-9-yl)-N,10-diphenylphenothiazin-3-amine is sourced from PubChem (CID 158580581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).