5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]

C54H33N3O — CID 134351551

IUPAC5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4O5)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
InChIInChI=1S/C54H33N3O/c1-3-16-34(17-4-1)36-32-44(35-18-5-2-6-19-35)55-50(33-36)56-46-27-12-8-21-39(46)51-48(56)31-30-43-53(51)58-49-29-14-10-24-41(49)54(43)40-23-9-13-28-47(40)57-45-26-11-7-20-37(45)38-22-15-25-42(54)52(38)57/h1-33H
InChIKeyZKOLNJGQGLVZDL-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.41
Rot. Bonds3

About 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]

5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] (PubChem CID 134351551) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole].

Molecular Properties

Compound Name5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
PubChem CID134351551
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4O5)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
InChIInChI=1S/C54H33N3O/c1-3-16-34(17-4-1)36-32-44(35-18-5-2-6-19-35)55-50(33-36)56-46-27-12-8-21-39(46)51-48(56)31-30-43-53(51)58-49-29-14-10-24-41(49)54(43)40-23-9-13-28-47(40)57-45-26-11-7-20-37(45)38-22-15-25-42(54)52(38)57/h1-33H
InChIKeyZKOLNJGQGLVZDL-UHFFFAOYSA-N
XLogP13.41
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]?
The IUPAC name of 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] (CID 134351551) is 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole].
What is the SMILES notation for 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]?
The canonical SMILES for 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4O5)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.
What is the InChIKey of 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]?
The InChIKey is ZKOLNJGQGLVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-16-34(17-4-1)36-32-44(35-18-5-2-6-19-35)55-50(33-36)56-46-27-12-8-21-39(46)51-48(56)31-30-43-53(51)58-49-29-14-10-24-41(49)54(43)40-23-9-13-28-47(40)57-45-26-11-7-20-37(45)38-22-15-25-42(54)52(38)57/h1-33H.
What are the key properties of 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]?
5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] has a molecular weight of 739.88 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole] is sourced from PubChem (CID 134351551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).