3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine

C55H36N2S — CID 118545932

IUPAC3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine
SMILESc1ccc(Nc2cc3c(cc2-c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C55H36N2S/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)48-25-13-10-22-41(48)42-31-29-40(33-49(42)55)57-51-26-14-11-23-43(51)47-34-46(50(35-52(47)57)56-39-20-8-3-9-21-39)36-28-30-45-44-24-12-15-27-53(44)58-54(45)32-36/h1-35,56H
InChIKeyJIZUTVNMKIDRJY-UHFFFAOYSA-N
MW756.97 g/mol
LogP14.93
Rot. Bonds6

About 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine

3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine (PubChem CID 118545932) has the molecular formula C55H36N2S and a molecular weight of 756.97 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine
PubChem CID118545932
Molecular FormulaC55H36N2S
Molecular Weight756.97 g/mol
Exact Mass756.26
IUPAC Name3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine
SMILESc1ccc(Nc2cc3c(cc2-c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C55H36N2S/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)48-25-13-10-22-41(48)42-31-29-40(33-49(42)55)57-51-26-14-11-23-43(51)47-34-46(50(35-52(47)57)56-39-20-8-3-9-21-39)36-28-30-45-44-24-12-15-27-53(44)58-54(45)32-36/h1-35,56H
InChIKeyJIZUTVNMKIDRJY-UHFFFAOYSA-N
XLogP14.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.97
LogP ≤ 514.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425052
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 161341820
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
CID 118462496
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine?
The IUPAC name of 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine (CID 118545932) is 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine.
What is the SMILES notation for 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine?
The canonical SMILES for 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine is c1ccc(Nc2cc3c(cc2-c2ccc4c(c2)sc2ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine?
The InChIKey is JIZUTVNMKIDRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S/c1-4-16-37(17-5-1)55(38-18-6-2-7-19-38)48-25-13-10-22-41(48)42-31-29-40(33-49(42)55)57-51-26-14-11-23-43(51)47-34-46(50(35-52(47)57)56-39-20-8-3-9-21-39)36-28-30-45-44-24-12-15-27-53(44)58-54(45)32-36/h1-35,56H.
What are the key properties of 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine?
3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine has a molecular weight of 756.97 g/mol, XLogP of 14.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-9-(9,9-diphenylfluoren-2-yl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 118545932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).