7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole

C57H38N2S — CID 134516493

IUPAC7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6sc7cccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)c7c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2S/c1-57(2)48-24-11-9-19-39(48)44-33-46-45-31-35(27-29-51(45)58(52(46)34-49(44)57)37-15-5-3-6-16-37)36-28-30-53-47(32-36)55-41(21-14-26-54(55)60-53)43-23-13-22-42-40-20-10-12-25-50(40)59(56(42)43)38-17-7-4-8-18-38/h3-34H,1-2H3
InChIKeyVJDFCVZWYNANKC-UHFFFAOYSA-N
MW783.01 g/mol
LogP15.89
Rot. Bonds4

About 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole (PubChem CID 134516493) has the molecular formula C57H38N2S and a molecular weight of 783.01 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
PubChem CID134516493
Molecular FormulaC57H38N2S
Molecular Weight783.01 g/mol
Exact Mass782.28
IUPAC Name7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6sc7cccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)c7c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H38N2S/c1-57(2)48-24-11-9-19-39(48)44-33-46-45-31-35(27-29-51(45)58(52(46)34-49(44)57)37-15-5-3-6-16-37)36-28-30-53-47(32-36)55-41(21-14-26-54(55)60-53)43-23-13-22-42-40-20-10-12-25-50(40)59(56(42)43)38-17-7-4-8-18-38/h3-34H,1-2H3
InChIKeyVJDFCVZWYNANKC-UHFFFAOYSA-N
XLogP15.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.01
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223615
5-[2-(4-dibenzothiophen-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592258
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 146533076

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole (CID 134516493) is 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6sc7cccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)c7c6c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole?
The InChIKey is VJDFCVZWYNANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2S/c1-57(2)48-24-11-9-19-39(48)44-33-46-45-31-35(27-29-51(45)58(52(46)34-49(44)57)37-15-5-3-6-16-37)36-28-30-53-47(32-36)55-41(21-14-26-54(55)60-53)43-23-13-22-42-40-20-10-12-25-50(40)59(56(42)43)38-17-7-4-8-18-38/h3-34H,1-2H3.
What are the key properties of 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole has a molecular weight of 783.01 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 134516493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).