14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene

C76H56N4O2 — CID 155616582

IUPAC14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c64)O5)cc32)c1
InChIInChI=1S/C76H56N4O2/c1-76(2,3)60-38-39-77-73(46-60)80-67-31-17-16-28-65(67)66-36-34-61(47-69(66)80)81-62-35-37-71-70(48-62)79-49-78(68-32-19-33-72(82-71)75(68)79)74-63(58-42-54(50-20-8-4-9-21-50)40-55(43-58)51-22-10-5-11-23-51)29-18-30-64(74)59-44-56(52-24-12-6-13-25-52)41-57(45-59)53-26-14-7-15-27-53/h4-48H,49H2,1-3H3
InChIKeyDPONQCBPQPNKRS-UHFFFAOYSA-N
MW1057.31 g/mol
LogP20.62
Rot. Bonds10

About 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene

14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene (PubChem CID 155616582) has the molecular formula C76H56N4O2 and a molecular weight of 1057.31 g/mol. Its IUPAC name is 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene.

Molecular Properties

Compound Name14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
PubChem CID155616582
Molecular FormulaC76H56N4O2
Molecular Weight1057.31 g/mol
Exact Mass1056.44
IUPAC Name14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c64)O5)cc32)c1
InChIInChI=1S/C76H56N4O2/c1-76(2,3)60-38-39-77-73(46-60)80-67-31-17-16-28-65(67)66-36-34-61(47-69(66)80)81-62-35-37-71-70(48-62)79-49-78(68-32-19-33-72(82-71)75(68)79)74-63(58-42-54(50-20-8-4-9-21-50)40-55(43-58)51-22-10-5-11-23-51)29-18-30-64(74)59-44-56(52-24-12-6-13-25-52)41-57(45-59)53-26-14-7-15-27-53/h4-48H,49H2,1-3H3
InChIKeyDPONQCBPQPNKRS-UHFFFAOYSA-N
XLogP20.62
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.31
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diaza-8-silatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzosilole]
CID 155616563
2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756717
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-[3-(3-tert-butyl-5-phenylphenyl)-9,9-dimethylfluoren-4-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 169065966
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
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-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566

Frequently Asked Questions

What is the IUPAC name of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene?
The IUPAC name of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene (CID 155616582) is 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene.
What is the SMILES notation for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene?
The canonical SMILES for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)N4CN(c6c(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc(c64)O5)cc32)c1.
What is the InChIKey of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene?
The InChIKey is DPONQCBPQPNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N4O2/c1-76(2,3)60-38-39-77-73(46-60)80-67-31-17-16-28-65(67)66-36-34-61(47-69(66)80)81-62-35-37-71-70(48-62)79-49-78(68-32-19-33-72(82-71)75(68)79)74-63(58-42-54(50-20-8-4-9-21-50)40-55(43-58)51-22-10-5-11-23-51)29-18-30-64(74)59-44-56(52-24-12-6-13-25-52)41-57(45-59)53-26-14-7-15-27-53/h4-48H,49H2,1-3H3.
What are the key properties of 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene?
14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene has a molecular weight of 1057.31 g/mol, XLogP of 20.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene is sourced from PubChem (CID 155616582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).