N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine

C60H38N2S — CID 177286494

IUPACN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H38N2S/c1-4-16-39(17-5-1)41-34-54(40-18-6-2-7-19-40)60-56(35-41)51-32-29-44(37-57(51)62(60)42-20-8-3-9-21-42)61(45-30-33-53-52-26-14-15-27-58(52)63-59(53)38-45)43-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)55(50)36-43/h1-38H
InChIKeyTUJMADLKAOJAKE-UHFFFAOYSA-N
MW819.05 g/mol
LogP17.42
Rot. Bonds6

About N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine

N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 177286494) has the molecular formula C60H38N2S and a molecular weight of 819.05 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID177286494
Molecular FormulaC60H38N2S
Molecular Weight819.05 g/mol
Exact Mass818.28
IUPAC NameN-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H38N2S/c1-4-16-39(17-5-1)41-34-54(40-18-6-2-7-19-40)60-56(35-41)51-32-29-44(37-57(51)62(60)42-20-8-3-9-21-42)61(45-30-33-53-52-26-14-15-27-58(52)63-59(53)38-45)43-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)55(50)36-43/h1-38H
InChIKeyTUJMADLKAOJAKE-UHFFFAOYSA-N
XLogP17.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.05
LogP ≤ 517.42
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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Launch Full Analysis

Related Compounds

N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
CID 177286557
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-chrysen-3-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138584
N-dibenzothiophen-2-yl-N-(2,4-diphenylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286581
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781903
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847901
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine (CID 177286494) is N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine?
The InChIKey is TUJMADLKAOJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S/c1-4-16-39(17-5-1)41-34-54(40-18-6-2-7-19-40)60-56(35-41)51-32-29-44(37-57(51)62(60)42-20-8-3-9-21-42)61(45-30-33-53-52-26-14-15-27-58(52)63-59(53)38-45)43-28-31-50-48-24-11-10-22-46(48)47-23-12-13-25-49(47)55(50)36-43/h1-38H.
What are the key properties of N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine?
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine has a molecular weight of 819.05 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine is sourced from PubChem (CID 177286494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).