9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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

C63H53N5O — CID 176782888

IUPAC9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C(c3ccccc3)=C2c2ccccc2)c(C)c1
InChIInChI=1S/C63H53N5O/c1-41-35-42(2)60(43(3)36-41)66-40-65(61(44-19-10-7-11-20-44)62(66)45-21-12-8-13-22-45)48-25-18-26-49(38-48)69-50-29-30-52-56(39-50)68(57-37-46(33-34-64-57)63(4,5)6)55-32-31-54-58(59(52)55)51-27-16-17-28-53(51)67(54)47-23-14-9-15-24-47/h7-39H,40H2,1-6H3
InChIKeyPAPGYGGCAHDDCW-UHFFFAOYSA-N
MW896.15 g/mol
LogP16.10
Rot. Bonds8

About 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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

9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 (PubChem CID 176782888) has the molecular formula C63H53N5O and a molecular weight of 896.15 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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
PubChem CID176782888
Molecular FormulaC63H53N5O
Molecular Weight896.15 g/mol
Exact Mass895.43
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C(c3ccccc3)=C2c2ccccc2)c(C)c1
InChIInChI=1S/C63H53N5O/c1-41-35-42(2)60(43(3)36-41)66-40-65(61(44-19-10-7-11-20-44)62(66)45-21-12-8-13-22-45)48-25-18-26-49(38-48)69-50-29-30-52-56(39-50)68(57-37-46(33-34-64-57)63(4,5)6)55-32-31-54-58(59(52)55)51-27-16-17-28-53(51)67(54)47-23-14-9-15-24-47/h7-39H,40H2,1-6H3
InChIKeyPAPGYGGCAHDDCW-UHFFFAOYSA-N
XLogP16.10
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.15
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 with MolForge

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Related Compounds

5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
12-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-[1]benzofuro[2,3-a]carbazole
CID 176782972
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782231
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155652409
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole
CID 155652710
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
2-[3-[3-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782429
5-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652553

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 176782888) is 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 is Cc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6c7c8ccccc8n(-c8ccccc8)c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C(c3ccccc3)=C2c2ccccc2)c(C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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?
The InChIKey is PAPGYGGCAHDDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N5O/c1-41-35-42(2)60(43(3)36-41)66-40-65(61(44-19-10-7-11-20-44)62(66)45-21-12-8-13-22-45)48-25-18-26-49(38-48)69-50-29-30-52-56(39-50)68(57-37-46(33-34-64-57)63(4,5)6)55-32-31-54-58(59(52)55)51-27-16-17-28-53(51)67(54)47-23-14-9-15-24-47/h7-39H,40H2,1-6H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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?
9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 has a molecular weight of 896.15 g/mol, XLogP of 16.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-6-[3-[4,5-diphenyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenoxy]-14-phenyl-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 is sourced from PubChem (CID 176782888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).