14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

C36H24N2O — CID 90222968

IUPAC14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(Oc2cccc(-n3c4ccccc4c4c5c(ccc6ccn(-c7ccccc7)c65)ccc43)c2)cc1
InChIInChI=1S/C36H24N2O/c1-3-10-27(11-4-1)37-23-22-26-19-18-25-20-21-33-35(34(25)36(26)37)31-16-7-8-17-32(31)38(33)28-12-9-15-30(24-28)39-29-13-5-2-6-14-29/h1-24H
InChIKeyWSKXCWFONXFEPJ-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.67
Rot. Bonds4

About 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (PubChem CID 90222968) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
PubChem CID90222968
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(Oc2cccc(-n3c4ccccc4c4c5c(ccc6ccn(-c7ccccc7)c65)ccc43)c2)cc1
InChIInChI=1S/C36H24N2O/c1-3-10-27(11-4-1)37-23-22-26-19-18-25-20-21-33-35(34(25)36(26)37)31-16-7-8-17-32(31)38(33)28-12-9-15-30(24-28)39-29-13-5-2-6-14-29/h1-24H
InChIKeyWSKXCWFONXFEPJ-UHFFFAOYSA-N
XLogP9.67
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
14-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222961
14-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222949
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-14-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90223028
4-phenyl-14-(4-phenylisoquinolin-1-yl)-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90223300
14-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene;ethane
CID 144645080
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223722
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
CID 118315382

Frequently Asked Questions

What is the IUPAC name of 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The IUPAC name of 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (CID 90222968) is 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The canonical SMILES for 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is c1ccc(Oc2cccc(-n3c4ccccc4c4c5c(ccc6ccn(-c7ccccc7)c65)ccc43)c2)cc1.
What is the InChIKey of 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The InChIKey is WSKXCWFONXFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-3-10-27(11-4-1)37-23-22-26-19-18-25-20-21-33-35(34(25)36(26)37)31-16-7-8-17-32(31)38(33)28-12-9-15-30(24-28)39-29-13-5-2-6-14-29/h1-24H.
What are the key properties of 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene has a molecular weight of 500.60 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is sourced from PubChem (CID 90222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).