13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]

C55H33N3O — CID 134351592

IUPAC13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1
InChIInChI=1S/C55H33N3O/c1-2-15-34(16-3-1)56-46-24-9-6-19-38(46)41-33-35(29-32-49(41)56)57-47-25-10-4-18-37(47)40-30-31-45-54(53(40)57)59-51-28-13-8-22-43(51)55(45)42-21-7-12-27-50(42)58-48-26-11-5-17-36(48)39-20-14-23-44(55)52(39)58/h1-33H
InChIKeyWSMGSIKWLSZHPZ-UHFFFAOYSA-N
MW751.89 g/mol
LogP13.78
Rot. Bonds2

About 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]

13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] (PubChem CID 134351592) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole].

Molecular Properties

Compound Name13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]
PubChem CID134351592
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1
InChIInChI=1S/C55H33N3O/c1-2-15-34(16-3-1)56-46-24-9-6-19-38(46)41-33-35(29-32-49(41)56)57-47-25-10-4-18-37(47)40-30-31-45-54(53(40)57)59-51-28-13-8-22-43(51)55(45)42-21-7-12-27-50(42)58-48-26-11-5-17-36(48)39-20-14-23-44(55)52(39)58/h1-33H
InChIKeyWSMGSIKWLSZHPZ-UHFFFAOYSA-N
XLogP13.78
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] with MolForge

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Related Compounds

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CID 121357406
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CID 132111923

Frequently Asked Questions

What is the IUPAC name of 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]?
The IUPAC name of 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] (CID 134351592) is 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole].
What is the SMILES notation for 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]?
The canonical SMILES for 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)ccc32)cc1.
What is the InChIKey of 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]?
The InChIKey is WSMGSIKWLSZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-2-15-34(16-3-1)56-46-24-9-6-19-38(46)41-33-35(29-32-49(41)56)57-47-25-10-4-18-37(47)40-30-31-45-54(53(40)57)59-51-28-13-8-22-43(51)55(45)42-21-7-12-27-50(42)58-48-26-11-5-17-36(48)39-20-14-23-44(55)52(39)58/h1-33H.
What are the key properties of 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole]?
13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] has a molecular weight of 751.89 g/mol, XLogP of 13.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole] is sourced from PubChem (CID 134351592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).