2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol

C40H26N4O — CID 164796460

IUPAC2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
SMILESOc1ccccc1-c1ccc2c(n1)c1c3c4cc(-c5ccccn5)ccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C40H26N4O/c45-37-17-8-7-15-29(37)32-19-21-36-40(42-32)39-35(44(36)28-13-5-2-6-14-28)23-22-34-38(39)30-25-26(31-16-9-10-24-41-31)18-20-33(30)43(34)27-11-3-1-4-12-27/h1-25,45H
InChIKeyVBAWWDHDDYKBDO-UHFFFAOYSA-N
MW578.68 g/mol
LogP9.71
Rot. Bonds4

About 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol

2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol (PubChem CID 164796460) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol.

Molecular Properties

Compound Name2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
PubChem CID164796460
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
SMILESOc1ccccc1-c1ccc2c(n1)c1c3c4cc(-c5ccccn5)ccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C40H26N4O/c45-37-17-8-7-15-29(37)32-19-21-36-40(42-32)39-35(44(36)28-13-5-2-6-14-28)23-22-34-38(39)30-25-26(31-16-9-10-24-41-31)18-20-33(30)43(34)27-11-3-1-4-12-27/h1-25,45H
InChIKeyVBAWWDHDDYKBDO-UHFFFAOYSA-N
XLogP9.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol with MolForge

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Related Compounds

9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylphenyl)carbazole
CID 140814567
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 129265354
5-phenanthro[9,10-b]pyridin-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599891
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
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
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
5-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158500543
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-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;9-phenyl-14-(3-phenyl-5-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;9-phenyl-14-(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 161276127
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557

Frequently Asked Questions

What is the IUPAC name of 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The IUPAC name of 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol (CID 164796460) is 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol.
What is the SMILES notation for 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The canonical SMILES for 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol is Oc1ccccc1-c1ccc2c(n1)c1c3c4cc(-c5ccccn5)ccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1.
What is the InChIKey of 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The InChIKey is VBAWWDHDDYKBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c45-37-17-8-7-15-29(37)32-19-21-36-40(42-32)39-35(44(36)28-13-5-2-6-14-28)23-22-34-38(39)30-25-26(31-16-9-10-24-41-31)18-20-33(30)43(34)27-11-3-1-4-12-27/h1-25,45H.
What are the key properties of 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol has a molecular weight of 578.68 g/mol, XLogP of 9.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol is sourced from PubChem (CID 164796460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).