10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

C40H24N2 — CID 129037727

IUPAC10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ncc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C40H24N2/c1-2-12-25(13-3-1)36-28-16-6-8-18-30(28)38(31-19-9-7-17-29(31)36)40-33-22-23-35-39(27-15-5-4-14-26(27)24-41-35)37(33)32-20-10-11-21-34(32)42-40/h1-24H
InChIKeyVCXNOYKXURMTNQ-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.73
Rot. Bonds2

About 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (PubChem CID 129037727) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
PubChem CID129037727
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ncc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C40H24N2/c1-2-12-25(13-3-1)36-28-16-6-8-18-30(28)38(31-19-9-7-17-29(31)36)40-33-22-23-35-39(27-15-5-4-14-26(27)24-41-35)37(33)32-20-10-11-21-34(32)42-40/h1-24H
InChIKeyVCXNOYKXURMTNQ-UHFFFAOYSA-N
XLogP10.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene with MolForge

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Related Compounds

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CID 146548480
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-phenylpyrimidin-2-yl]benzo[k]phenanthridine
CID 126681876
phenanthridine-1-thiol
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CID 118332103
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043

Frequently Asked Questions

What is the IUPAC name of 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The IUPAC name of 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (CID 129037727) is 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The canonical SMILES for 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is c1ccc(-c2c3ccccc3c(-c3nc4ccccc4c4c3ccc3ncc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The InChIKey is VCXNOYKXURMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-2-12-25(13-3-1)36-28-16-6-8-18-30(28)38(31-19-9-7-17-29(31)36)40-33-22-23-35-39(27-15-5-4-14-26(27)24-41-35)37(33)32-20-10-11-21-34(32)42-40/h1-24H.
What are the key properties of 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene has a molecular weight of 532.65 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 129037727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).