1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]

C66H66N4O — CID 165375181

IUPAC1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
SMILESCc1ccc(N2CN3c4cc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)ccc4C4(c5cccc2c53)c2c(cc(C(C)(C)C)cc2C(C)(C)C)-c2cc(C(C)(C)C)cc(C(C)(C)C)c24)cc1
InChIInChI=1S/C66H66N4O/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13/h14-38H,39H2,1-13H3
InChIKeyYFNBJUMNEODJRL-UHFFFAOYSA-N
MW931.28 g/mol
LogP17.39
Rot. Bonds4

About 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]

1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] (PubChem CID 165375181) has the molecular formula C66H66N4O and a molecular weight of 931.28 g/mol. Its IUPAC name is 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
PubChem CID165375181
Molecular FormulaC66H66N4O
Molecular Weight931.28 g/mol
Exact Mass930.52
IUPAC Name1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
SMILESCc1ccc(N2CN3c4cc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)ccc4C4(c5cccc2c53)c2c(cc(C(C)(C)C)cc2C(C)(C)C)-c2cc(C(C)(C)C)cc(C(C)(C)C)c24)cc1
InChIInChI=1S/C66H66N4O/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13/h14-38H,39H2,1-13H3
InChIKeyYFNBJUMNEODJRL-UHFFFAOYSA-N
XLogP17.39
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.28
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] with MolForge

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Related Compounds

1',3',6',8'-tetratert-butyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14-(3,4,5-trimethyl-2,6-dipyridin-4-ylphenyl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
CID 165374914
9-pyridin-2-yl-7-(1',3',6',8'-tetratert-butyl-14-methylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]-4-yl)oxycarbazole-3-carbonitrile
CID 165375156
1',3',6',8'-tetratert-butyl-4-[6-(9H-fluoren-9-yl)-9-pyridin-2-ylcarbazol-2-yl]oxy-14-methylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
CID 177273039
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
1',3',6',8'-tetratert-butyl-14-methyl-4-[9-(4-methyl-5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]
CID 165374908
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616528
14-methyl-1',8'-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-thioxanthene]
CID 165374791
2-[2-tert-butyl-5-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
CID 172545618
CID 165374983
CID 165374983
CID 165375085
CID 165375085
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457
3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799509

Frequently Asked Questions

What is the IUPAC name of 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] (CID 165375181) is 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] is Cc1ccc(N2CN3c4cc(Oc5ccc6c7ccccc7n(-c7ccccn7)c6c5)ccc4C4(c5cccc2c53)c2c(cc(C(C)(C)C)cc2C(C)(C)C)-c2cc(C(C)(C)C)cc(C(C)(C)C)c24)cc1.
What is the InChIKey of 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?
The InChIKey is YFNBJUMNEODJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66N4O/c1-40-24-26-43(27-25-40)68-39-69-57-38-45(71-44-28-30-47-46-19-14-15-21-54(46)70(56(47)37-44)58-23-16-17-32-67-58)29-31-50(57)66(51-20-18-22-55(68)61(51)69)59-48(33-41(62(2,3)4)35-52(59)64(8,9)10)49-34-42(63(5,6)7)36-53(60(49)66)65(11,12)13/h14-38H,39H2,1-13H3.
What are the key properties of 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene]?
1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] has a molecular weight of 931.28 g/mol, XLogP of 17.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',6',8'-tetratert-butyl-14-(4-methylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 165375181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).