N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine

C64H40N2S — CID 89492267

IUPACN-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C64H40N2S/c1-2-16-45(17-3-1)65(61-25-13-27-63-64(61)55-23-10-11-26-62(55)67-63)46-32-28-41(29-33-46)43-30-36-59-57(38-43)58-39-44(49-24-12-15-42-14-4-5-18-48(42)49)31-37-60(58)66(59)47-34-35-54-52-21-7-6-19-50(52)51-20-8-9-22-53(51)56(54)40-47/h1-40H
InChIKeyMSXGZBVMVQAXIG-UHFFFAOYSA-N
MW869.11 g/mol
LogP18.57
Rot. Bonds6

About N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine

N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine (PubChem CID 89492267) has the molecular formula C64H40N2S and a molecular weight of 869.11 g/mol. Its IUPAC name is N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine
PubChem CID89492267
Molecular FormulaC64H40N2S
Molecular Weight869.11 g/mol
Exact Mass868.29
IUPAC NameN-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C64H40N2S/c1-2-16-45(17-3-1)65(61-25-13-27-63-64(61)55-23-10-11-26-62(55)67-63)46-32-28-41(29-33-46)43-30-36-59-57(38-43)58-39-44(49-24-12-15-42-14-4-5-18-48(42)49)31-37-60(58)66(59)47-34-35-54-52-21-7-6-19-50(52)51-20-8-9-22-53(51)56(54)40-47/h1-40H
InChIKeyMSXGZBVMVQAXIG-UHFFFAOYSA-N
XLogP18.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.11
LogP ≤ 518.57
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-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491964
N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 89492334
N-[4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491968
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167182895
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine (CID 89492267) is N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
The InChIKey is MSXGZBVMVQAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2S/c1-2-16-45(17-3-1)65(61-25-13-27-63-64(61)55-23-10-11-26-62(55)67-63)46-32-28-41(29-33-46)43-30-36-59-57(38-43)58-39-44(49-24-12-15-42-14-4-5-18-48(42)49)31-37-60(58)66(59)47-34-35-54-52-21-7-6-19-50(52)51-20-8-9-22-53(51)56(54)40-47/h1-40H.
What are the key properties of N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine?
N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine has a molecular weight of 869.11 g/mol, XLogP of 18.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 89492267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).