3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene

C34H22N4 — CID 130444673

IUPAC3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
SMILESC1=CN(c2ccc(-c3ccccn3)cn2)c2cccc3c2c1cc1c2ccccc2n(-c2ccccc2)c31
InChIInChI=1S/C34H22N4/c1-2-9-25(10-3-1)38-30-14-5-4-11-26(30)28-21-23-18-20-37(31-15-8-12-27(33(23)31)34(28)38)32-17-16-24(22-36-32)29-13-6-7-19-35-29/h1-22H
InChIKeyBMENUBULAJDFFZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.52
Rot. Bonds3

About 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene

3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene (PubChem CID 130444673) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene.

Molecular Properties

Compound Name3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
PubChem CID130444673
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
SMILESC1=CN(c2ccc(-c3ccccn3)cn2)c2cccc3c2c1cc1c2ccccc2n(-c2ccccc2)c31
InChIInChI=1S/C34H22N4/c1-2-9-25(10-3-1)38-30-14-5-4-11-26(30)28-21-23-18-20-37(31-15-8-12-27(33(23)31)34(28)38)32-17-16-24(22-36-32)29-13-6-7-19-35-29/h1-22H
InChIKeyBMENUBULAJDFFZ-UHFFFAOYSA-N
XLogP8.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene with MolForge

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Related Compounds

15-(5-pyridin-2-yl-2-pyridinyl)-3-thia-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
CID 130444683
15-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
CID 130444671
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118586942
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
CID 134184019
2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole
CID 165167764
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221411
14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 118203425

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The IUPAC name of 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene (CID 130444673) is 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene.
What is the SMILES notation for 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The canonical SMILES for 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene is C1=CN(c2ccc(-c3ccccn3)cn2)c2cccc3c2c1cc1c2ccccc2n(-c2ccccc2)c31.
What is the InChIKey of 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The InChIKey is BMENUBULAJDFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-9-25(10-3-1)38-30-14-5-4-11-26(30)28-21-23-18-20-37(31-15-8-12-27(33(23)31)34(28)38)32-17-16-24(22-36-32)29-13-6-7-19-35-29/h1-22H.
What are the key properties of 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene has a molecular weight of 486.58 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-15-(5-pyridin-2-yl-2-pyridinyl)-3,15-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene is sourced from PubChem (CID 130444673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).