16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene

C37H24N2 — CID 139497770

IUPAC16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
SMILESc1ccc(-c2cccc(-n3c(-c4ccccn4)c4c5c(cccc53)-c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C37H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)39-34-22-11-20-31-29-17-5-4-16-28(29)30-18-6-7-19-32(30)36(35(31)34)37(39)33-21-8-9-23-38-33/h1-24H
InChIKeyUBVXCLGAXRXKPB-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.67
Rot. Bonds3

About 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene

16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene (PubChem CID 139497770) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene.

Molecular Properties

Compound Name16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
PubChem CID139497770
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
SMILESc1ccc(-c2cccc(-n3c(-c4ccccn4)c4c5c(cccc53)-c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C37H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)39-34-22-11-20-31-29-17-5-4-16-28(29)30-18-6-7-19-32(30)36(35(31)34)37(39)33-21-8-9-23-38-33/h1-24H
InChIKeyUBVXCLGAXRXKPB-UHFFFAOYSA-N
XLogP9.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene with MolForge

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Related Compounds

16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene
CID 159167380
15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 138512423
16-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;15-phenyl-16-pyrimidin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 158993531
22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,16-diphenyl-5-pyridin-2-yl-16,22-diazahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene
CID 139337031
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylphenyl)carbazole
CID 140814567
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
5-(4-phenyl-2-pyridinyl)-7-(3-pyridin-2-ylphenyl)benzo[c]carbazole
CID 159887886
27-phenyl-5,27-diazaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22(26),23-tridecaene;27-(3-phenylphenyl)-5,27-diazaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22(26),23-tridecaene;27-(6-phenyl-2-pyridinyl)-5,27-diazaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22(26),23-tridecaene;27-pyridin-2-yl-5,27-diazaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22(26),23-tridecaene
CID 162173468
3,9-diphenyl-6-[4-[9-(4-pyridin-2-ylphenyl)carbazol-4-yl]carbazol-9-yl]carbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]carbazol-9-yl]-6,9-diphenylcarbazole
CID 158224384
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437

Frequently Asked Questions

What is the IUPAC name of 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The IUPAC name of 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene (CID 139497770) is 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene.
What is the SMILES notation for 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The canonical SMILES for 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene is c1ccc(-c2cccc(-n3c(-c4ccccn4)c4c5c(cccc53)-c3ccccc3-c3ccccc3-4)c2)cc1.
What is the InChIKey of 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The InChIKey is UBVXCLGAXRXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)39-34-22-11-20-31-29-17-5-4-16-28(29)30-18-6-7-19-32(30)36(35(31)34)37(39)33-21-8-9-23-38-33/h1-24H.
What are the key properties of 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene has a molecular weight of 496.61 g/mol, XLogP of 9.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene is sourced from PubChem (CID 139497770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).