11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene

C51H35N3 — CID 129310566

IUPAC11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3nc4ccccc4n3-c3ccc(-c4cccc(C5Nc6ccccc6-c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C51H35N3/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)43-26-11-9-25-42(43)50-53-46-28-13-14-29-48(46)54(50)47-31-30-35(33-44(47)51)34-16-15-17-36(32-34)49-41-24-8-7-22-39(41)40-23-10-12-27-45(40)52-49/h1-33,49,52H
InChIKeyXJGLZICSTIRSHA-UHFFFAOYSA-N
MW689.86 g/mol
LogP12.24
Rot. Bonds4

About 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene

11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene (PubChem CID 129310566) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene.

Molecular Properties

Compound Name11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene
PubChem CID129310566
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3nc4ccccc4n3-c3ccc(-c4cccc(C5Nc6ccccc6-c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C51H35N3/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)43-26-11-9-25-42(43)50-53-46-28-13-14-29-48(46)54(50)47-31-30-35(33-44(47)51)34-16-15-17-36(32-34)49-41-24-8-7-22-39(41)40-23-10-12-27-45(40)52-49/h1-33,49,52H
InChIKeyXJGLZICSTIRSHA-UHFFFAOYSA-N
XLogP12.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene with MolForge

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Related Compounds

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CID 156528656
1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 155333714
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
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1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-[2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 170235644
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58471989
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CID 130417555
8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
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Frequently Asked Questions

What is the IUPAC name of 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene?
The IUPAC name of 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene (CID 129310566) is 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene.
What is the SMILES notation for 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene?
The canonical SMILES for 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3nc4ccccc4n3-c3ccc(-c4cccc(C5Nc6ccccc6-c6ccccc65)c4)cc32)cc1.
What is the InChIKey of 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene?
The InChIKey is XJGLZICSTIRSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)43-26-11-9-25-42(43)50-53-46-28-13-14-29-48(46)54(50)47-31-30-35(33-44(47)51)34-16-15-17-36(32-34)49-41-24-8-7-22-39(41)40-23-10-12-27-45(40)52-49/h1-33,49,52H.
What are the key properties of 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene?
11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene has a molecular weight of 689.86 g/mol, XLogP of 12.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene is sourced from PubChem (CID 129310566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).