2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol

C42H29N3O — CID 157483052

IUPAC2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
SMILESCc1cnc(-n2c3cc(-c4cccc(-c5ccccc5O)n4)ccc3c3c4c(ccc32)Cc2ccccc2-4)cc1-c1ccccc1
InChIInChI=1S/C42H29N3O/c1-26-25-43-40(24-34(26)27-10-3-2-4-11-27)45-37-21-19-30-22-28-12-5-6-13-31(28)41(30)42(37)33-20-18-29(23-38(33)45)35-15-9-16-36(44-35)32-14-7-8-17-39(32)46/h2-21,23-25,46H,22H2,1H3
InChIKeyCOHQQFDWMUHQPG-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.16
Rot. Bonds4

About 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol

2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol (PubChem CID 157483052) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
PubChem CID157483052
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
SMILESCc1cnc(-n2c3cc(-c4cccc(-c5ccccc5O)n4)ccc3c3c4c(ccc32)Cc2ccccc2-4)cc1-c1ccccc1
InChIInChI=1S/C42H29N3O/c1-26-25-43-40(24-34(26)27-10-3-2-4-11-27)45-37-21-19-30-22-28-12-5-6-13-31(28)41(30)42(37)33-20-18-29(23-38(33)45)35-15-9-16-36(44-35)32-14-7-8-17-39(32)46/h2-21,23-25,46H,22H2,1H3
InChIKeyCOHQQFDWMUHQPG-UHFFFAOYSA-N
XLogP10.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol with MolForge

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Related Compounds

9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
CID 157483049
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
CID 175157618
2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
CID 159911696
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15-oxa-6-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 177277019
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 158403329
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163768315
3-phenyl-9H-fluoren-4-ol
CID 91456444
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
CID 169058434

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol (CID 157483052) is 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol is Cc1cnc(-n2c3cc(-c4cccc(-c5ccccc5O)n4)ccc3c3c4c(ccc32)Cc2ccccc2-4)cc1-c1ccccc1.
What is the InChIKey of 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol?
The InChIKey is COHQQFDWMUHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-26-25-43-40(24-34(26)27-10-3-2-4-11-27)45-37-21-19-30-22-28-12-5-6-13-31(28)41(30)42(37)33-20-18-29(23-38(33)45)35-15-9-16-36(44-35)32-14-7-8-17-39(32)46/h2-21,23-25,46H,22H2,1H3.
What are the key properties of 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol?
2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol has a molecular weight of 591.71 g/mol, XLogP of 10.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 157483052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).