17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene

C35H23N3 — CID 90223476

IUPAC17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
SMILESc1ccc(-n2ccc3c4ccc5c6ccccc6n(-c6ccc(-c7cccnc7)cc6)c5c4ccc32)cc1
InChIInChI=1S/C35H23N3/c1-2-8-26(9-3-1)37-22-20-30-28-16-17-32-29-10-4-5-11-34(29)38(35(32)31(28)18-19-33(30)37)27-14-12-24(13-15-27)25-7-6-21-36-23-25/h1-23H
InChIKeyIFKVBBIWMVDTKM-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.94
Rot. Bonds3

About 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene

17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene (PubChem CID 90223476) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene.

Molecular Properties

Compound Name17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
PubChem CID90223476
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
SMILESc1ccc(-n2ccc3c4ccc5c6ccccc6n(-c6ccc(-c7cccnc7)cc6)c5c4ccc32)cc1
InChIInChI=1S/C35H23N3/c1-2-8-26(9-3-1)37-22-20-30-28-16-17-32-29-10-4-5-11-34(29)38(35(32)31(28)18-19-33(30)37)27-14-12-24(13-15-27)25-7-6-21-36-23-25/h1-23H
InChIKeyIFKVBBIWMVDTKM-UHFFFAOYSA-N
XLogP8.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene with MolForge

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Related Compounds

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CID 118314952
7-phenyl-14-(4-pyridin-3-ylphenyl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223627
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
17-phenyl-3-(3-pyridin-4-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223481
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949
10-(4-pyridin-3-ylphenyl)furo[3,2-a]carbazole
CID 123870718
6-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90222773
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The IUPAC name of 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene (CID 90223476) is 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene.
What is the SMILES notation for 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The canonical SMILES for 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene is c1ccc(-n2ccc3c4ccc5c6ccccc6n(-c6ccc(-c7cccnc7)cc6)c5c4ccc32)cc1.
What is the InChIKey of 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
The InChIKey is IFKVBBIWMVDTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-8-26(9-3-1)37-22-20-30-28-16-17-32-29-10-4-5-11-34(29)38(35(32)31(28)18-19-33(30)37)27-14-12-24(13-15-27)25-7-6-21-36-23-25/h1-23H.
What are the key properties of 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene?
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene has a molecular weight of 485.59 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene is sourced from PubChem (CID 90223476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).