5'-(4-quinolin-8-ylphenyl)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]

C52H31N3O — CID 134351743

IUPAC5'-(4-quinolin-8-ylphenyl)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]
SMILESc1ccc2c(c1)Oc1c(ccc3c1c1ccccc1n3-c1ccc(-c3cccc4cccnc34)cc1)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C52H31N3O/c1-5-21-43-36(14-1)37-17-10-20-41-50(37)55(43)45-23-7-3-18-39(45)52(41)40-19-4-8-24-47(40)56-51-42(52)29-30-46-48(51)38-15-2-6-22-44(38)54(46)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-49(33)35/h1-31H
InChIKeyKEAWRXOBVRMGSV-UHFFFAOYSA-N
MW713.84 g/mol
LogP12.90
Rot. Bonds2

About 5'-(4-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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 134351743) has the molecular formula C52H31N3O and a molecular weight of 713.84 g/mol. Its IUPAC name is 5'-(4-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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 CID134351743
Molecular FormulaC52H31N3O
Molecular Weight713.84 g/mol
Exact Mass713.25
IUPAC Name5'-(4-quinolin-8-ylphenyl)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]
SMILESc1ccc2c(c1)Oc1c(ccc3c1c1ccccc1n3-c1ccc(-c3cccc4cccnc34)cc1)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C52H31N3O/c1-5-21-43-36(14-1)37-17-10-20-41-50(37)55(43)45-23-7-3-18-39(45)52(41)40-19-4-8-24-47(40)56-51-42(52)29-30-46-48(51)38-15-2-6-22-44(38)54(46)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-49(33)35/h1-31H
InChIKeyKEAWRXOBVRMGSV-UHFFFAOYSA-N
XLogP12.90
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5'-(4-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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 134351743) is 5'-(4-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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 c1ccc2c(c1)Oc1c(ccc3c1c1ccccc1n3-c1ccc(-c3cccc4cccnc34)cc1)C21c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 5'-(4-quinolin-8-ylphenyl)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 KEAWRXOBVRMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O/c1-5-21-43-36(14-1)37-17-10-20-41-50(37)55(43)45-23-7-3-18-39(45)52(41)40-19-4-8-24-47(40)56-51-42(52)29-30-46-48(51)38-15-2-6-22-44(38)54(46)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-49(33)35/h1-31H.
What are the key properties of 5'-(4-quinolin-8-ylphenyl)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-quinolin-8-ylphenyl)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 713.84 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-quinolin-8-ylphenyl)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 134351743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).