13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]

C47H28N2O — CID 134351503

IUPAC13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]
SMILESc1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C47H28N2O/c1-2-13-30-28-31(25-24-29(30)12-1)48-40-20-7-3-15-33(40)35-26-27-39-46(45(35)48)50-43-23-10-6-18-37(43)47(39)36-17-5-9-22-42(36)49-41-21-8-4-14-32(41)34-16-11-19-38(47)44(34)49/h1-28H
InChIKeyVZEKCTCLCIPXNM-UHFFFAOYSA-N
MW636.75 g/mol
LogP11.84
Rot. Bonds1

About 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]

13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] (PubChem CID 134351503) has the molecular formula C47H28N2O and a molecular weight of 636.75 g/mol. Its IUPAC name is 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole].

Molecular Properties

Compound Name13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]
PubChem CID134351503
Molecular FormulaC47H28N2O
Molecular Weight636.75 g/mol
Exact Mass636.22
IUPAC Name13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]
SMILESc1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C47H28N2O/c1-2-13-30-28-31(25-24-29(30)12-1)48-40-20-7-3-15-33(40)35-26-27-39-46(45(35)48)50-43-23-10-6-18-37(43)47(39)36-17-5-9-22-42(36)49-41-21-8-4-14-32(41)34-16-11-19-38(47)44(34)49/h1-28H
InChIKeyVZEKCTCLCIPXNM-UHFFFAOYSA-N
XLogP11.84
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]?
The IUPAC name of 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] (CID 134351503) is 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole].
What is the SMILES notation for 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]?
The canonical SMILES for 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] is c1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]?
The InChIKey is VZEKCTCLCIPXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O/c1-2-13-30-28-31(25-24-29(30)12-1)48-40-20-7-3-15-33(40)35-26-27-39-46(45(35)48)50-43-23-10-6-18-37(43)47(39)36-17-5-9-22-42(36)49-41-21-8-4-14-32(41)34-16-11-19-38(47)44(34)49/h1-28H.
What are the key properties of 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole]?
13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] has a molecular weight of 636.75 g/mol, XLogP of 11.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13'-naphthalen-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-13,7'-chromeno[2,3-a]carbazole] is sourced from PubChem (CID 134351503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).