2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine

C76H50N4S — CID 153311585

IUPAC2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3sc4ccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C76H50N4S/c1-6-25-54(26-7-1)77(55-27-8-2-9-28-55)60-49-68-67-48-53(61-38-22-42-70-73(61)66-45-43-51-23-16-17-36-62(51)75(66)80(70)58-33-14-5-15-34-58)44-46-72(67)81-76(68)71(50-60)78(56-29-10-3-11-30-56)59-35-20-24-52(47-59)63-39-21-40-65-64-37-18-19-41-69(64)79(74(63)65)57-31-12-4-13-32-57/h1-50H
InChIKeyRGYBENKUUINKOC-UHFFFAOYSA-N
MW1051.33 g/mol
LogP21.68
Rot. Bonds10

About 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine

2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine (PubChem CID 153311585) has the molecular formula C76H50N4S and a molecular weight of 1051.33 g/mol. Its IUPAC name is 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine
PubChem CID153311585
Molecular FormulaC76H50N4S
Molecular Weight1051.33 g/mol
Exact Mass1050.38
IUPAC Name2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3sc4ccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C76H50N4S/c1-6-25-54(26-7-1)77(55-27-8-2-9-28-55)60-49-68-67-48-53(61-38-22-42-70-73(61)66-45-43-51-23-16-17-36-62(51)75(66)80(70)58-33-14-5-15-34-58)44-46-72(67)81-76(68)71(50-60)78(56-29-10-3-11-30-56)59-35-20-24-52(47-59)63-39-21-40-65-64-37-18-19-41-69(64)79(74(63)65)57-31-12-4-13-32-57/h1-50H
InChIKeyRGYBENKUUINKOC-UHFFFAOYSA-N
XLogP21.68
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.33
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine with MolForge

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Related Compounds

3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660260
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
CID 164790553
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
CID 167195327
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 122666236
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine (CID 153311585) is 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3sc4ccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine?
The InChIKey is RGYBENKUUINKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4S/c1-6-25-54(26-7-1)77(55-27-8-2-9-28-55)60-49-68-67-48-53(61-38-22-42-70-73(61)66-45-43-51-23-16-17-36-62(51)75(66)80(70)58-33-14-5-15-34-58)44-46-72(67)81-76(68)71(50-60)78(56-29-10-3-11-30-56)59-35-20-24-52(47-59)63-39-21-40-65-64-37-18-19-41-69(64)79(74(63)65)57-31-12-4-13-32-57/h1-50H.
What are the key properties of 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine?
2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine has a molecular weight of 1051.33 g/mol, XLogP of 21.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-triphenyl-8-(11-phenylbenzo[a]carbazol-7-yl)-4-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophene-2,4-diamine is sourced from PubChem (CID 153311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).