N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline

C61H39N3O — CID 134351711

About N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline

N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline (PubChem CID 134351711) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline
• PubChem CID: 134351711
• Molecular Formula: C61H39N3O
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.31
• IUPAC Name: N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1
• InChI: InChI=1S/C61H39N3O/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-26-11-7-21-47(54)49-38-39-53-60(59(49)63)65-57-29-14-10-24-51(57)61(53)50-23-9-13-28-56(50)64-55-27-12-8-20-46(55)48-22-15-25-52(61)58(48)64/h1-39H
• InChIKey: LOOUYOBVQZSADY-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 22.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.00
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline?

The IUPAC name of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline (CID 134351711) is N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline.

What is the SMILES notation for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline?

The canonical SMILES for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.

What is the InChIKey of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline?

The InChIKey is LOOUYOBVQZSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(42-18-5-2-6-19-42)44-34-36-45(37-35-44)63-54-26-11-7-21-47(54)49-38-39-53-60(59(49)63)65-57-29-14-10-24-51(57)61(53)50-23-9-13-28-56(50)64-55-27-12-8-20-46(55)48-22-15-25-52(61)58(48)64/h1-39H.

What are the key properties of N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline?

N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline has a molecular weight of 830.00 g/mol, XLogP of 15.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline is sourced from PubChem (CID 134351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).