N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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

C75H50N2 — CID 135168060

About N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 135168060) has the molecular formula C75H50N2 and a molecular weight of 979.24 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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: 135168060
• Molecular Formula: C75H50N2
• Molecular Weight: 979.24 g/mol
• Exact Mass: 978.40
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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: CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
• InChI: InChI=1S/C75H50N2/c1-73(2)58-34-15-12-31-56(58)71-62(73)38-22-42-68(71)76(69-46-65-70(54-30-10-9-28-52(54)69)57-32-13-17-36-60(57)74(65,47-23-5-3-6-24-47)48-25-7-4-8-26-48)49-43-44-51-50-27-11-16-35-59(50)75(64(51)45-49)61-37-18-20-41-67(61)77-66-40-19-14-29-53(66)55-33-21-39-63(75)72(55)77/h3-46H,1-2H3
• InChIKey: BTUVNVINMMRJJH-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.24
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 135168060) is N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 BTUVNVINMMRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2/c1-73(2)58-34-15-12-31-56(58)71-62(73)38-22-42-68(71)76(69-46-65-70(54-30-10-9-28-52(54)69)57-32-13-17-36-60(57)74(65,47-23-5-3-6-24-47)48-25-7-4-8-26-48)49-43-44-51-50-27-11-16-35-59(50)75(64(51)45-49)61-37-18-20-41-67(61)77-66-40-19-14-29-53(66)55-33-21-39-63(75)72(55)77/h3-46H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 979.24 g/mol, XLogP of 18.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-N-(7,7-diphenylbenzo[c]fluoren-5-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 135168060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).