1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine

C51H36N2S — CID 154697176

IUPAC1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c4sc4ccccc45)c4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C51H36N2S/c1-51(2)45-20-9-6-15-37(45)38-28-27-35(31-46(38)51)53(34-25-23-33(24-26-34)32-13-4-3-5-14-32)36-29-43-39-16-7-10-21-47(39)52-49(43)44(30-36)42-19-12-18-41-40-17-8-11-22-48(40)54-50(41)42/h3-31,52H,1-2H3
InChIKeyZFSKYDBSMAXZFE-UHFFFAOYSA-N
MW708.93 g/mol
LogP14.80
Rot. Bonds5

About 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine

1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine (PubChem CID 154697176) has the molecular formula C51H36N2S and a molecular weight of 708.93 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
PubChem CID154697176
Molecular FormulaC51H36N2S
Molecular Weight708.93 g/mol
Exact Mass708.26
IUPAC Name1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c4sc4ccccc45)c4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C51H36N2S/c1-51(2)45-20-9-6-15-37(45)38-28-27-35(31-46(38)51)53(34-25-23-33(24-26-34)32-13-4-3-5-14-32)36-29-43-39-16-7-10-21-47(39)52-49(43)44(30-36)42-19-12-18-41-40-17-8-11-22-48(40)54-50(41)42/h3-31,52H,1-2H3
InChIKeyZFSKYDBSMAXZFE-UHFFFAOYSA-N
XLogP14.80
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.93
LogP ≤ 514.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
1-(9,9-dimethylfluoren-2-yl)-N,N-diphenyl-9H-carbazol-3-amine
CID 154697085
1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine
CID 154697182
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine (CID 154697176) is 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c4sc4ccccc45)c4[nH]c5ccccc5c4c3)cc21.
What is the InChIKey of 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine?
The InChIKey is ZFSKYDBSMAXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2S/c1-51(2)45-20-9-6-15-37(45)38-28-27-35(31-46(38)51)53(34-25-23-33(24-26-34)32-13-4-3-5-14-32)36-29-43-39-16-7-10-21-47(39)52-49(43)44(30-36)42-19-12-18-41-40-17-8-11-22-48(40)54-50(41)42/h3-31,52H,1-2H3.
What are the key properties of 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine?
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine has a molecular weight of 708.93 g/mol, XLogP of 14.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 154697176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).