N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine

C55H38N2S — CID 70853892

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(-c6ccc7c(c6)c6c8ccccc8ccc6n7-c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C55H38N2S/c1-55(2)48-20-12-11-19-43(48)44-26-24-41(34-49(44)55)56(38-14-5-3-6-15-38)40-25-30-53-46(33-40)45-31-37(23-29-52(45)58-53)36-22-27-50-47(32-36)54-42-18-10-9-13-35(42)21-28-51(54)57(50)39-16-7-4-8-17-39/h3-34H,1-2H3
InChIKeyUILZSWFYCNTPMS-UHFFFAOYSA-N
MW758.99 g/mol
LogP15.75
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine (PubChem CID 70853892) has the molecular formula C55H38N2S and a molecular weight of 758.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
PubChem CID70853892
Molecular FormulaC55H38N2S
Molecular Weight758.99 g/mol
Exact Mass758.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(-c6ccc7c(c6)c6c8ccccc8ccc6n7-c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C55H38N2S/c1-55(2)48-20-12-11-19-43(48)44-26-24-41(34-49(44)55)56(38-14-5-3-6-15-38)40-25-30-53-46(33-40)45-31-37(23-29-52(45)58-53)36-22-27-50-47(32-36)54-42-18-10-9-13-35(42)21-28-51(54)57(50)39-16-7-4-8-17-39/h3-34H,1-2H3
InChIKeyUILZSWFYCNTPMS-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.99
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 140905672
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 161237159
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
CID 154965910
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 118282673
N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole
CID 163664990
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine (CID 70853892) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(-c6ccc7c(c6)c6c8ccccc8ccc6n7-c6ccccc6)cc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine?
The InChIKey is UILZSWFYCNTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2S/c1-55(2)48-20-12-11-19-43(48)44-26-24-41(34-49(44)55)56(38-14-5-3-6-15-38)40-25-30-53-46(33-40)45-31-37(23-29-52(45)58-53)36-22-27-50-47(32-36)54-42-18-10-9-13-35(42)21-28-51(54)57(50)39-16-7-4-8-17-39/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine has a molecular weight of 758.99 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 70853892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).