N,N-diphenyl-4-[(13R)-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'-yl]aniline

C55H35N3O — CID 145314088

About N,N-diphenyl-4-[(13R)-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'-yl]aniline

N,N-diphenyl-4-[(13R)-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'-yl]aniline (PubChem CID 145314088) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is N,N-diphenyl-4-[(13R)-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'-yl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[(13R)-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'-yl]aniline
• PubChem CID: 145314088
• Molecular Formula: C55H35N3O
• Molecular Weight: 753.91 g/mol
• Exact Mass: 753.28
• IUPAC Name: N,N-diphenyl-4-[(13R)-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'-yl]aniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3[C@]53c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C55H35N3O/c1-3-16-36(17-4-1)56(37-18-5-2-6-19-37)38-30-32-39(33-31-38)57-48-26-11-7-21-41(48)43-34-35-47-54(53(43)57)59-51-29-14-10-24-45(51)55(47)44-23-9-13-28-50(44)58-49-27-12-8-20-40(49)42-22-15-25-46(55)52(42)58/h1-35H/t55-/m0/s1
• InChIKey: BITSNHCRZHRUKR-GNFJTHHVSA-N
• XLogP: 14.15
• TPSA: 22.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.91
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(13R)-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'-yl]aniline?

The IUPAC name of N,N-diphenyl-4-[(13R)-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'-yl]aniline (CID 145314088) is N,N-diphenyl-4-[(13R)-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'-yl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[(13R)-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'-yl]aniline?

The canonical SMILES for N,N-diphenyl-4-[(13R)-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'-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3[C@]53c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[(13R)-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'-yl]aniline?

The InChIKey is BITSNHCRZHRUKR-GNFJTHHVSA-N. The full InChI is InChI=1S/C55H35N3O/c1-3-16-36(17-4-1)56(37-18-5-2-6-19-37)38-30-32-39(33-31-38)57-48-26-11-7-21-41(48)43-34-35-47-54(53(43)57)59-51-29-14-10-24-45(51)55(47)44-23-9-13-28-50(44)58-49-27-12-8-20-40(49)42-22-15-25-46(55)52(42)58/h1-35H/t55-/m0/s1.

What are the key properties of N,N-diphenyl-4-[(13R)-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'-yl]aniline?

N,N-diphenyl-4-[(13R)-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'-yl]aniline has a molecular weight of 753.91 g/mol, XLogP of 14.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[(13R)-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'-yl]aniline is sourced from PubChem (CID 145314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).