13'-dibenzothiophen-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]

C49H28N2OS — CID 134351535

IUPAC13'-dibenzothiophen-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(-c4ccc5sc6ccccc6c5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C49H28N2OS/c1-6-19-40-31(13-1)34-25-26-39-48(47(34)50(40)29-24-27-45-35(28-29)32-14-3-10-23-44(32)53-45)52-43-22-9-5-17-37(43)49(39)36-16-4-8-21-42(36)51-41-20-7-2-12-30(41)33-15-11-18-38(49)46(33)51/h1-28H
InChIKeyZSSZFPNSHXVXCL-UHFFFAOYSA-N
MW692.84 g/mol
LogP13.05
Rot. Bonds1

About 13'-dibenzothiophen-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'-dibenzothiophen-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 134351535) has the molecular formula C49H28N2OS and a molecular weight of 692.84 g/mol. Its IUPAC name is 13'-dibenzothiophen-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'-dibenzothiophen-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 CID134351535
Molecular FormulaC49H28N2OS
Molecular Weight692.84 g/mol
Exact Mass692.19
IUPAC Name13'-dibenzothiophen-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(-c4ccc5sc6ccccc6c5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C49H28N2OS/c1-6-19-40-31(13-1)34-25-26-39-48(47(34)50(40)29-24-27-45-35(28-29)32-14-3-10-23-44(32)53-45)52-43-22-9-5-17-37(43)49(39)36-16-4-8-21-42(36)51-41-20-7-2-12-30(41)33-15-11-18-38(49)46(33)51/h1-28H
InChIKeyZSSZFPNSHXVXCL-UHFFFAOYSA-N
XLogP13.05
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.84
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13'-dibenzothiophen-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13'-dibenzothiophen-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'-dibenzothiophen-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 134351535) is 13'-dibenzothiophen-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'-dibenzothiophen-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'-dibenzothiophen-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(-c4ccc5sc6ccccc6c5c4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 13'-dibenzothiophen-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 ZSSZFPNSHXVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2OS/c1-6-19-40-31(13-1)34-25-26-39-48(47(34)50(40)29-24-27-45-35(28-29)32-14-3-10-23-44(32)53-45)52-43-22-9-5-17-37(43)49(39)36-16-4-8-21-42(36)51-41-20-7-2-12-30(41)33-15-11-18-38(49)46(33)51/h1-28H.
What are the key properties of 13'-dibenzothiophen-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'-dibenzothiophen-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 692.84 g/mol, XLogP of 13.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13'-dibenzothiophen-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 134351535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).