N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine

C78H48N2S — CID 135167875

About N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine (PubChem CID 135167875) has the molecular formula C78H48N2S and a molecular weight of 1045.32 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine
• PubChem CID: 135167875
• Molecular Formula: C78H48N2S
• Molecular Weight: 1045.32 g/mol
• Exact Mass: 1044.35
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3-c3c2ccc2ccccc32)cc1
• InChI: InChI=1S/C78H48N2S/c1-3-19-52(20-4-1)77(53-21-5-2-6-22-53)67-44-36-50-18-7-8-23-57(50)75(67)63-43-41-56(48-70(63)77)79(54-38-34-49(35-39-54)51-37-45-74-64(46-51)61-26-11-16-33-73(61)81-74)55-40-42-59-58-24-9-12-28-65(58)78(69(59)47-55)66-29-13-15-32-72(66)80-71-31-14-10-25-60(71)62-27-17-30-68(78)76(62)80/h1-48H
• InChIKey: ALCJAIHRRZDLOT-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.32
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine (CID 135167875) is N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine is c1ccc(C2(c3ccccc3)c3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3-c3c2ccc2ccccc32)cc1.

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine?

The InChIKey is ALCJAIHRRZDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2S/c1-3-19-52(20-4-1)77(53-21-5-2-6-22-53)67-44-36-50-18-7-8-23-57(50)75(67)63-43-41-56(48-70(63)77)79(54-38-34-49(35-39-54)51-37-45-74-64(46-51)61-26-11-16-33-73(61)81-74)55-40-42-59-58-24-9-12-28-65(58)78(69(59)47-55)66-29-13-15-32-72(66)80-71-31-14-10-25-60(71)62-27-17-30-68(78)76(62)80/h1-48H.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine has a molecular weight of 1045.32 g/mol, XLogP of 20.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)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'-fluorene]-2'-amine is sourced from PubChem (CID 135167875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).