N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine

C56H36N2S — CID 167234262

IUPACN-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C56H36N2S/c1-2-14-37(15-3-1)44-32-26-39(51-34-38-16-4-5-17-43(38)45-18-6-7-19-46(45)51)35-54(44)57(42-31-33-50-49-22-10-13-25-55(49)59-56(50)36-42)40-27-29-41(30-28-40)58-52-23-11-8-20-47(52)48-21-9-12-24-53(48)58/h1-36H
InChIKeyYSTIPXNOHJSBOQ-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine

N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 167234262) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID167234262
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C56H36N2S/c1-2-14-37(15-3-1)44-32-26-39(51-34-38-16-4-5-17-43(38)45-18-6-7-19-46(45)51)35-54(44)57(42-31-33-50-49-22-10-13-25-55(49)59-56(50)36-42)40-27-29-41(30-28-40)58-52-23-11-8-20-47(52)48-21-9-12-24-53(48)58/h1-36H
InChIKeyYSTIPXNOHJSBOQ-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234946
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167235897
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 163748630
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379902
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine (CID 167234262) is N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is YSTIPXNOHJSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-2-14-37(15-3-1)44-32-26-39(51-34-38-16-4-5-17-43(38)45-18-6-7-19-46(45)51)35-54(44)57(42-31-33-50-49-22-10-13-25-55(49)59-56(50)36-42)40-27-29-41(30-28-40)58-52-23-11-8-20-47(52)48-21-9-12-24-53(48)58/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167234262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).