5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one

C49H32N2O — CID 146379290

IUPAC5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one
SMILESO=C1c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n1c23
InChIInChI=1S/C49H32N2O/c52-49-44-30-39(35-17-9-3-10-18-35)24-28-46(44)50(41-25-21-37(22-26-41)33-13-5-1-6-14-33)47-32-40(36-19-11-4-12-20-36)31-43-42-29-38(34-15-7-2-8-16-34)23-27-45(42)51(49)48(43)47/h1-32H
InChIKeyAXMKETZCOLQOGM-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.93
Rot. Bonds5

About 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one

5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one (PubChem CID 146379290) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one.

Molecular Properties

Compound Name5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one
PubChem CID146379290
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one
SMILESO=C1c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n1c23
InChIInChI=1S/C49H32N2O/c52-49-44-30-39(35-17-9-3-10-18-35)24-28-46(44)50(41-25-21-37(22-26-41)33-13-5-1-6-14-33)47-32-40(36-19-11-4-12-20-36)31-43-42-29-38(34-15-7-2-8-16-34)23-27-45(42)51(49)48(43)47/h1-32H
InChIKeyAXMKETZCOLQOGM-UHFFFAOYSA-N
XLogP12.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one with MolForge

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Related Compounds

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CID 121449228
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)carbazole;1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazole
CID 157284069
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
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9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
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CID 88917356

Frequently Asked Questions

What is the IUPAC name of 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one?
The IUPAC name of 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one (CID 146379290) is 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one.
What is the SMILES notation for 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one?
The canonical SMILES for 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one is O=C1c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n1c23.
What is the InChIKey of 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one?
The InChIKey is AXMKETZCOLQOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c52-49-44-30-39(35-17-9-3-10-18-35)24-28-46(44)50(41-25-21-37(22-26-41)33-13-5-1-6-14-33)47-32-40(36-19-11-4-12-20-36)31-43-42-29-38(34-15-7-2-8-16-34)23-27-45(42)51(49)48(43)47/h1-32H.
What are the key properties of 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one?
5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one has a molecular weight of 664.81 g/mol, XLogP of 12.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,17-triphenyl-13-(4-phenylphenyl)-1,13-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),9,11,14(19),15,17-nonaen-20-one is sourced from PubChem (CID 146379290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).