18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]

C41H24N2O — CID 118520976

IUPAC18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-c3ccc4ccccc4c3)ccc2-c2c1c1cccnc1c1ncccc21
InChIInChI=1S/C41H24N2O/c1-2-10-26-23-27(18-17-25(26)9-1)28-19-20-29-34(24-28)41(32-13-3-5-15-35(32)44-36-16-6-4-14-33(36)41)38-31-12-8-22-43-40(31)39-30(37(29)38)11-7-21-42-39/h1-24H
InChIKeyGRADJRFQSIDQKR-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.07
Rot. Bonds1

About 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]

18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] (PubChem CID 118520976) has the molecular formula C41H24N2O and a molecular weight of 560.66 g/mol. Its IUPAC name is 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene].

Molecular Properties

Compound Name18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]
PubChem CID118520976
Molecular FormulaC41H24N2O
Molecular Weight560.66 g/mol
Exact Mass560.19
IUPAC Name18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-c3ccc4ccccc4c3)ccc2-c2c1c1cccnc1c1ncccc21
InChIInChI=1S/C41H24N2O/c1-2-10-26-23-27(18-17-25(26)9-1)28-19-20-29-34(24-28)41(32-13-3-5-15-35(32)44-36-16-6-4-14-33(36)41)38-31-12-8-22-43-40(31)39-30(37(29)38)11-7-21-42-39/h1-24H
InChIKeyGRADJRFQSIDQKR-UHFFFAOYSA-N
XLogP10.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] 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 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]?
The IUPAC name of 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] (CID 118520976) is 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene].
What is the SMILES notation for 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]?
The canonical SMILES for 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2cc(-c3ccc4ccccc4c3)ccc2-c2c1c1cccnc1c1ncccc21.
What is the InChIKey of 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]?
The InChIKey is GRADJRFQSIDQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O/c1-2-10-26-23-27(18-17-25(26)9-1)28-19-20-29-34(24-28)41(32-13-3-5-15-35(32)44-36-16-6-4-14-33(36)41)38-31-12-8-22-43-40(31)39-30(37(29)38)11-7-21-42-39/h1-24H.
What are the key properties of 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene]?
18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] has a molecular weight of 560.66 g/mol, XLogP of 10.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-naphthalen-2-ylspiro[6,9-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene-21,9'-xanthene] is sourced from PubChem (CID 118520976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).