7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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

C41H27N3 — CID 90223421

IUPAC7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5ccc43)c2)cc1
InChIInChI=1S/C41H27N3/c1-4-12-28(13-5-1)31-24-37(29-14-6-2-7-15-29)42-41(26-31)43-23-22-34-35-27-36-33-18-10-11-19-39(33)44(32-16-8-3-9-17-32)40(36)25-30(35)20-21-38(34)43/h1-27H
InChIKeyNDVGWUHCXWRXNV-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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

7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 (PubChem CID 90223421) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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.

Molecular Properties

Compound Name7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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
PubChem CID90223421
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5ccc43)c2)cc1
InChIInChI=1S/C41H27N3/c1-4-12-28(13-5-1)31-24-37(29-14-6-2-7-15-29)42-41(26-31)43-23-22-34-35-27-36-33-18-10-11-19-39(33)44(32-16-8-3-9-17-32)40(36)25-30(35)20-21-38(34)43/h1-27H
InChIKeyNDVGWUHCXWRXNV-UHFFFAOYSA-N
XLogP10.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 with MolForge

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Related Compounds

7-(3,5-diphenylphenyl)-20-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223013
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
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
1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 123499530
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
7-phenyl-14-(2-phenylpyrimidin-5-yl)-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 90223580
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
CID 90267340

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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?
The IUPAC name of 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 90223421) is 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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.
What is the SMILES notation for 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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?
The canonical SMILES for 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5ccc43)c2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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?
The InChIKey is NDVGWUHCXWRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-4-12-28(13-5-1)31-24-37(29-14-6-2-7-15-29)42-41(26-31)43-23-22-34-35-27-36-33-18-10-11-19-39(33)44(32-16-8-3-9-17-32)40(36)25-30(35)20-21-38(34)43/h1-27H.
What are the key properties of 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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?
7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 has a molecular weight of 561.69 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 is sourced from PubChem (CID 90223421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).