9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole

C67H56N2S2 — CID 59236651

IUPAC9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)s7)ccc5-6)s4)ccc32)cc1
InChIInChI=1S/C67H56N2S2/c1-65(2,3)45-21-25-47(26-22-45)68-57-15-11-9-13-51(57)53-37-41(19-31-59(53)68)61-33-35-63(70-61)43-17-29-49-50-30-18-44(40-56(50)67(7,8)55(49)39-43)64-36-34-62(71-64)42-20-32-60-54(38-42)52-14-10-12-16-58(52)69(60)48-27-23-46(24-28-48)66(4,5)6/h9-40H,1-8H3
InChIKeyVCOSOFWUGNXGPG-UHFFFAOYSA-N
MW953.33 g/mol
LogP19.57
Rot. Bonds6

About 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole

9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole (PubChem CID 59236651) has the molecular formula C67H56N2S2 and a molecular weight of 953.33 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
PubChem CID59236651
Molecular FormulaC67H56N2S2
Molecular Weight953.33 g/mol
Exact Mass952.39
IUPAC Name9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)s7)ccc5-6)s4)ccc32)cc1
InChIInChI=1S/C67H56N2S2/c1-65(2,3)45-21-25-47(26-22-45)68-57-15-11-9-13-51(57)53-37-41(19-31-59(53)68)61-33-35-63(70-61)43-17-29-49-50-30-18-44(40-56(50)67(7,8)55(49)39-43)64-36-34-62(71-64)42-20-32-60-54(38-42)52-14-10-12-16-58(52)69(60)48-27-23-46(24-28-48)66(4,5)6/h9-40H,1-8H3
InChIKeyVCOSOFWUGNXGPG-UHFFFAOYSA-N
XLogP19.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.33
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophene-2-carbaldehyde
CID 102155225
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
CID 138579773
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;1-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159440650
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole (CID 59236651) is 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)s7)ccc5-6)s4)ccc32)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
The InChIKey is VCOSOFWUGNXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2S2/c1-65(2,3)45-21-25-47(26-22-45)68-57-15-11-9-13-51(57)53-37-41(19-31-59(53)68)61-33-35-63(70-61)43-17-29-49-50-30-18-44(40-56(50)67(7,8)55(49)39-43)64-36-34-62(71-64)42-20-32-60-54(38-42)52-14-10-12-16-58(52)69(60)48-27-23-46(24-28-48)66(4,5)6/h9-40H,1-8H3.
What are the key properties of 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole?
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole has a molecular weight of 953.33 g/mol, XLogP of 19.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 59236651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).