10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol

C44H33N3O — CID 177095634

IUPAC10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc(-c3cc4c5ccccc5n5c6ccccc6c(c3O)c45)n2)c1
InChIInChI=1S/C44H33N3O/c1-44(2,3)31-23-29(22-30(24-31)38-25-28(20-21-45-38)27-12-5-4-6-13-27)36-16-11-17-37(46-36)35-26-34-32-14-7-9-18-39(32)47-40-19-10-8-15-33(40)41(42(34)47)43(35)48/h4-26,48H,1-3H3
InChIKeyNVLRBORZLZVEIC-UHFFFAOYSA-N
MW619.77 g/mol
LogP11.30
Rot. Bonds4

About 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol

10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol (PubChem CID 177095634) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol.

Molecular Properties

Compound Name10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol
PubChem CID177095634
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC Name10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc(-c3cc4c5ccccc5n5c6ccccc6c(c3O)c45)n2)c1
InChIInChI=1S/C44H33N3O/c1-44(2,3)31-23-29(22-30(24-31)38-25-28(20-21-45-38)27-12-5-4-6-13-27)36-16-11-17-37(46-36)35-26-34-32-14-7-9-18-39(32)47-40-19-10-8-15-33(40)41(42(34)47)43(35)48/h4-26,48H,1-3H3
InChIKeyNVLRBORZLZVEIC-UHFFFAOYSA-N
XLogP11.30
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol with MolForge

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Related Compounds

21-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-20-ol;platinum
CID 177095563
7-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-6,20-diazaoctacyclo[18.10.1.02,19.04,17.05,10.011,16.021,26.027,31]hentriaconta-1(30),2(19),3,5(10),6,8,11,13,15,17,21,23,25,27(31),28-pentadecaen-3-ol
CID 177294038
4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-16-oxa-3,6-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(24),2,4,7,9,11,13,15(23),17,19,21-undecaen-24-ol
CID 177294253
7-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-27-oxa-6,20-diazaoctacyclo[18.11.1.02,19.04,17.05,10.011,16.021,26.028,32]dotriaconta-1(32),2(19),3,5(10),6,8,11,13,15,17,21,23,25,28,30-pentadecaen-3-ol
CID 177294064
8-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-6,13,23-triazanonacyclo[21.10.1.02,22.04,20.05,13.07,12.014,19.024,29.030,34]tetratriaconta-1(33),2(22),3,5,7,9,11,14,16,18,20,24,26,28,30(34),31-hexadecaen-3-ol;platinum
CID 177294147
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5-isocyanophenol
CID 176614293
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170676777
1-[2-[3-[4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-4-pyridinyl]-9-phenylcarbazole
CID 168803338
2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093879
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenylphenol
CID 164713639

Frequently Asked Questions

What is the IUPAC name of 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol?
The IUPAC name of 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol (CID 177095634) is 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol.
What is the SMILES notation for 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol?
The canonical SMILES for 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc(-c3cc4c5ccccc5n5c6ccccc6c(c3O)c45)n2)c1.
What is the InChIKey of 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol?
The InChIKey is NVLRBORZLZVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3O/c1-44(2,3)31-23-29(22-30(24-31)38-25-28(20-21-45-38)27-12-5-4-6-13-27)36-16-11-17-37(46-36)35-26-34-32-14-7-9-18-39(32)47-40-19-10-8-15-33(40)41(42(34)47)43(35)48/h4-26,48H,1-3H3.
What are the key properties of 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol?
10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol has a molecular weight of 619.77 g/mol, XLogP of 11.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-ol is sourced from PubChem (CID 177095634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).