10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole

C201H212N6OS — CID 158781901

IUPAC10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole
SMILESCCCCCCc1cc(CCCCCC)cc(-c2cc(-c3cc(CCCCCC)cc(CCCCCC)c3)cc(N3c4ccc(C)cc4Sc4cc(C)ccc43)c2)c1.CCCCCCc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3c3cc(-n4c5ccc(C)cc5c5cc(C)ccc54)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C72H73NO.C56H73NS.C47H37N3.C26H29N/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-7-11-15-19-23-44-33-45(24-20-16-12-8-2)36-48(35-44)50-39-51(49-37-46(25-21-17-13-9-3)34-47(38-49)26-22-18-14-10-4)41-52(40-50)57-53-29-27-42(5)31-55(53)58-56-32-43(6)28-30-54(56)57;1-28-6-12-33(13-7-28)48-46-20-14-34(49-42-16-8-29(2)22-36(42)37-23-30(3)9-17-43(37)49)26-40(46)41-27-35(15-21-47(41)48)50-44-18-10-31(4)24-38(44)39-25-32(5)11-19-45(39)50;1-4-5-6-7-8-21-11-13-22(14-12-21)27-25-15-9-19(2)17-23(25)24-18-20(3)10-16-26(24)27/h15-45H,1-14H3;27-41H,7-26H2,1-6H3;6-27H,1-5H3;9-18H,4-8H2,1-3H3
InChIKeyIRENDJHTIDBTNY-UHFFFAOYSA-N
MW2760.01 g/mol
LogP59.18
Rot. Bonds39

About 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole (PubChem CID 158781901) has the molecular formula C201H212N6OS and a molecular weight of 2760.01 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole
PubChem CID158781901
Molecular FormulaC201H212N6OS
Molecular Weight2760.01 g/mol
Exact Mass2757.64
IUPAC Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole
SMILESCCCCCCc1cc(CCCCCC)cc(-c2cc(-c3cc(CCCCCC)cc(CCCCCC)c3)cc(N3c4ccc(C)cc4Sc4cc(C)ccc43)c2)c1.CCCCCCc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3c3cc(-n4c5ccc(C)cc5c5cc(C)ccc54)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C72H73NO.C56H73NS.C47H37N3.C26H29N/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-7-11-15-19-23-44-33-45(24-20-16-12-8-2)36-48(35-44)50-39-51(49-37-46(25-21-17-13-9-3)34-47(38-49)26-22-18-14-10-4)41-52(40-50)57-53-29-27-42(5)31-55(53)58-56-32-43(6)28-30-54(56)57;1-28-6-12-33(13-7-28)48-46-20-14-34(49-42-16-8-29(2)22-36(42)37-23-30(3)9-17-43(37)49)26-40(46)41-27-35(15-21-47(41)48)50-44-18-10-31(4)24-38(44)39-25-32(5)11-19-45(39)50;1-4-5-6-7-8-21-11-13-22(14-12-21)27-25-15-9-19(2)17-23(25)24-18-20(3)10-16-26(24)27/h15-45H,1-14H3;27-41H,7-26H2,1-6H3;6-27H,1-5H3;9-18H,4-8H2,1-3H3
InChIKeyIRENDJHTIDBTNY-UHFFFAOYSA-N
XLogP59.18
TPSA35.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds39
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002760.01
LogP ≤ 559.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole?
The IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole (CID 158781901) is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole is CCCCCCc1cc(CCCCCC)cc(-c2cc(-c3cc(CCCCCC)cc(CCCCCC)c3)cc(N3c4ccc(C)cc4Sc4cc(C)ccc43)c2)c1.CCCCCCc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3c3cc(-n4c5ccc(C)cc5c5cc(C)ccc54)ccc32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.
What is the InChIKey of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole?
The InChIKey is IRENDJHTIDBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H73NO.C56H73NS.C47H37N3.C26H29N/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-7-11-15-19-23-44-33-45(24-20-16-12-8-2)36-48(35-44)50-39-51(49-37-46(25-21-17-13-9-3)34-47(38-49)26-22-18-14-10-4)41-52(40-50)57-53-29-27-42(5)31-55(53)58-56-32-43(6)28-30-54(56)57;1-28-6-12-33(13-7-28)48-46-20-14-34(49-42-16-8-29(2)22-36(42)37-23-30(3)9-17-43(37)49)26-40(46)41-27-35(15-21-47(41)48)50-44-18-10-31(4)24-38(44)39-25-32(5)11-19-45(39)50;1-4-5-6-7-8-21-11-13-22(14-12-21)27-25-15-9-19(2)17-23(25)24-18-20(3)10-16-26(24)27/h15-45H,1-14H3;27-41H,7-26H2,1-6H3;6-27H,1-5H3;9-18H,4-8H2,1-3H3.
What are the key properties of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole?
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole has a molecular weight of 2760.01 g/mol, XLogP of 59.18, 39 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dihexylphenyl)phenyl]-3,7-dimethylphenothiazine;3,6-bis(3,6-dimethylcarbazol-9-yl)-9-(4-methylphenyl)carbazole;9-(4-hexylphenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 158781901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).