N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine

C56H40N2S — CID 144613701

IUPACN-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
SMILESCCn1c2ccccc2c2ccc(N(c3cc4c(c5ccccc35)-c3ccc(C)cc3C4(c3ccccc3)c3ccccc3)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C56H40N2S/c1-3-57-49-26-14-12-21-40(49)42-32-30-39(34-51(42)57)58(50-27-16-25-45-43-23-13-15-28-53(43)59-55(45)50)52-35-48-54(44-24-11-10-22-41(44)52)46-31-29-36(2)33-47(46)56(48,37-17-6-4-7-18-37)38-19-8-5-9-20-38/h4-35H,3H2,1-2H3
InChIKeyMBMIWXCPJPNTCG-UHFFFAOYSA-N
MW773.02 g/mol
LogP15.48
Rot. Bonds6

About N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine

N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine (PubChem CID 144613701) has the molecular formula C56H40N2S and a molecular weight of 773.02 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
PubChem CID144613701
Molecular FormulaC56H40N2S
Molecular Weight773.02 g/mol
Exact Mass772.29
IUPAC NameN-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
SMILESCCn1c2ccccc2c2ccc(N(c3cc4c(c5ccccc35)-c3ccc(C)cc3C4(c3ccccc3)c3ccccc3)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C56H40N2S/c1-3-57-49-26-14-12-21-40(49)42-32-30-39(34-51(42)57)58(50-27-16-25-45-43-23-13-15-28-53(43)59-55(45)50)52-35-48-54(44-24-11-10-22-41(44)52)46-31-29-36(2)33-47(46)56(48,37-17-6-4-7-18-37)38-19-8-5-9-20-38/h4-35H,3H2,1-2H3
InChIKeyMBMIWXCPJPNTCG-UHFFFAOYSA-N
XLogP15.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.02
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dibenzothiophen-4-yl-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)amino]benzonitrile
CID 144614681
5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430725
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine
CID 164769136
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
CID 140962610

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine (CID 144613701) is N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine is CCn1c2ccccc2c2ccc(N(c3cc4c(c5ccccc35)-c3ccc(C)cc3C4(c3ccccc3)c3ccccc3)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine?
The InChIKey is MBMIWXCPJPNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2S/c1-3-57-49-26-14-12-21-40(49)42-32-30-39(34-51(42)57)58(50-27-16-25-45-43-23-13-15-28-53(43)59-55(45)50)52-35-48-54(44-24-11-10-22-41(44)52)46-31-29-36(2)33-47(46)56(48,37-17-6-4-7-18-37)38-19-8-5-9-20-38/h4-35H,3H2,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine?
N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine has a molecular weight of 773.02 g/mol, XLogP of 15.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine is sourced from PubChem (CID 144613701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).