5'-dibenzofuran-2-ylspiro[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]

C49H28N2O2 — CID 134351523

IUPAC5'-dibenzofuran-2-ylspiro[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-c1ccc3oc4ccccc4c3c1)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C49H28N2O2/c1-6-19-39-30(12-1)32-15-11-18-37-47(32)51(39)41-21-8-4-16-35(41)49(37)36-17-5-10-23-45(36)53-48-38(49)25-26-42-46(48)33-14-2-7-20-40(33)50(42)29-24-27-44-34(28-29)31-13-3-9-22-43(31)52-44/h1-28H
InChIKeyCXDCYDNLUYLZGJ-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.58
Rot. Bonds1

About 5'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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 134351523) has the molecular formula C49H28N2O2 and a molecular weight of 676.78 g/mol. Its IUPAC name is 5'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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 CID134351523
Molecular FormulaC49H28N2O2
Molecular Weight676.78 g/mol
Exact Mass676.22
IUPAC Name5'-dibenzofuran-2-ylspiro[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-c1ccc3oc4ccccc4c3c1)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C49H28N2O2/c1-6-19-39-30(12-1)32-15-11-18-37-47(32)51(39)41-21-8-4-16-35(41)49(37)36-17-5-10-23-45(36)53-48-38(49)25-26-42-46(48)33-14-2-7-20-40(33)50(42)29-24-27-44-34(28-29)31-13-3-9-22-43(31)52-44/h1-28H
InChIKeyCXDCYDNLUYLZGJ-UHFFFAOYSA-N
XLogP12.58
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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 134351523) is 5'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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-c1ccc3oc4ccccc4c3c1)C21c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 5'-dibenzofuran-2-ylspiro[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 CXDCYDNLUYLZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O2/c1-6-19-39-30(12-1)32-15-11-18-37-47(32)51(39)41-21-8-4-16-35(41)49(37)36-17-5-10-23-45(36)53-48-38(49)25-26-42-46(48)33-14-2-7-20-40(33)50(42)29-24-27-44-34(28-29)31-13-3-9-22-43(31)52-44/h1-28H.
What are the key properties of 5'-dibenzofuran-2-ylspiro[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'-dibenzofuran-2-ylspiro[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 676.78 g/mol, XLogP of 12.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-dibenzofuran-2-ylspiro[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 134351523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).