7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene

C24H16N2 — CID 90223157

IUPAC7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3cc4c(ccc5c6ccccc6[nH]c45)cc32)cc1
InChIInChI=1S/C24H16N2/c1-2-6-18(7-3-1)26-13-12-17-14-21-16(15-23(17)26)10-11-20-19-8-4-5-9-22(19)25-24(20)21/h1-15,25H
InChIKeyFRNJUUKFDUYDLG-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.42
Rot. Bonds1

About 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene

7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene (PubChem CID 90223157) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
PubChem CID90223157
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3cc4c(ccc5c6ccccc6[nH]c45)cc32)cc1
InChIInChI=1S/C24H16N2/c1-2-6-18(7-3-1)26-13-12-17-14-21-16(15-23(17)26)10-11-20-19-8-4-5-9-22(19)25-24(20)21/h1-15,25H
InChIKeyFRNJUUKFDUYDLG-UHFFFAOYSA-N
XLogP6.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90223239
7-phenyl-20-(3-phenylphenyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223138
6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
CID 159920528
1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
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4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole
CID 90270899
7-phenyl-20-(9-phenylcarbazol-3-yl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223118
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
18-phenyl-10-thia-14,18-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 144661701
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223094
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The IUPAC name of 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene (CID 90223157) is 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene.
What is the SMILES notation for 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The canonical SMILES for 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene is c1ccc(-n2ccc3cc4c(ccc5c6ccccc6[nH]c45)cc32)cc1.
What is the InChIKey of 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The InChIKey is FRNJUUKFDUYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-2-6-18(7-3-1)26-13-12-17-14-21-16(15-23(17)26)10-11-20-19-8-4-5-9-22(19)25-24(20)21/h1-15,25H.
What are the key properties of 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene has a molecular weight of 332.41 g/mol, XLogP of 6.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene is sourced from PubChem (CID 90223157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).