9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine

C274H250N12S3 — CID 157445938

IUPAC9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
SMILESCc1cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)c1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1sc1ccccc12
InChIInChI=1S/C111H114N6.2C23H19N.C21H21N.2C19H15N.C19H17N.3C13H10S/c1-65-50-78(116-100-46-34-74(112-92-38-26-66(104(2,3)4)52-80(92)81-53-67(105(5,6)7)27-39-93(81)112)61-88(100)89-62-75(35-47-101(89)116)113-94-40-28-68(106(8,9)10)54-82(94)83-55-69(107(11,12)13)29-41-95(83)113)60-79(51-65)117-102-48-36-76(114-96-42-30-70(108(14,15)16)56-84(96)85-57-71(109(17,18)19)31-43-97(85)114)63-90(102)91-64-77(37-49-103(91)117)115-98-44-32-72(110(20,21)22)58-86(98)87-59-73(111(23,24)25)33-45-99(87)115;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h26-64H,1-25H3;2*2-17H,1H3;4-15H,1-3H3;2*2-13H,1H3;2-15H,1H3;3*2-8H,1H3
InChIKeyBSFJWAAWQBJUJE-UHFFFAOYSA-N
MW3807.30 g/mol
LogP79.01
Rot. Bonds20

About 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine

9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 157445938) has the molecular formula C274H250N12S3 and a molecular weight of 3807.30 g/mol. Its IUPAC name is 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID157445938
Molecular FormulaC274H250N12S3
Molecular Weight3807.30 g/mol
Exact Mass3803.91
IUPAC Name9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
SMILESCc1cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)c1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1sc1ccccc12
InChIInChI=1S/C111H114N6.2C23H19N.C21H21N.2C19H15N.C19H17N.3C13H10S/c1-65-50-78(116-100-46-34-74(112-92-38-26-66(104(2,3)4)52-80(92)81-53-67(105(5,6)7)27-39-93(81)112)61-88(100)89-62-75(35-47-101(89)116)113-94-40-28-68(106(8,9)10)54-82(94)83-55-69(107(11,12)13)29-41-95(83)113)60-79(51-65)117-102-48-36-76(114-96-42-30-70(108(14,15)16)56-84(96)85-57-71(109(17,18)19)31-43-97(85)114)63-90(102)91-64-77(37-49-103(91)117)115-98-44-32-72(110(20,21)22)58-86(98)87-59-73(111(23,24)25)33-45-99(87)115;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h26-64H,1-25H3;2*2-17H,1H3;4-15H,1-3H3;2*2-13H,1H3;2-15H,1H3;3*2-8H,1H3
InChIKeyBSFJWAAWQBJUJE-UHFFFAOYSA-N
XLogP79.01
TPSA52.40 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms289
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003807.30
LogP ≤ 579.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine (CID 157445938) is 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine is Cc1cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc(-n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)c1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1sc1ccccc12.
What is the InChIKey of 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is BSFJWAAWQBJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H114N6.2C23H19N.C21H21N.2C19H15N.C19H17N.3C13H10S/c1-65-50-78(116-100-46-34-74(112-92-38-26-66(104(2,3)4)52-80(92)81-53-67(105(5,6)7)27-39-93(81)112)61-88(100)89-62-75(35-47-101(89)116)113-94-40-28-68(106(8,9)10)54-82(94)83-55-69(107(11,12)13)29-41-95(83)113)60-79(51-65)117-102-48-36-76(114-96-42-30-70(108(14,15)16)56-84(96)85-57-71(109(17,18)19)31-43-97(85)114)63-90(102)91-64-77(37-49-103(91)117)115-98-44-32-72(110(20,21)22)58-86(98)87-59-73(111(23,24)25)33-45-99(87)115;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h26-64H,1-25H3;2*2-17H,1H3;4-15H,1-3H3;2*2-13H,1H3;2-15H,1H3;3*2-8H,1H3.
What are the key properties of 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine?
9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 3807.30 g/mol, XLogP of 79.01, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-5-methylphenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;4-methyl-N,N-bis(4-methylphenyl)aniline;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 157445938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).