N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine

C76H48N2S — CID 89492334

IUPACN-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C76H48N2S/c1-2-15-49(16-3-1)50-31-38-57(39-32-50)77(74-29-14-28-68-67-26-10-11-30-75(67)79-76(68)74)58-40-33-51(34-41-58)54-36-43-72-70(47-54)71-48-56(61-27-13-18-52-17-4-5-21-60(52)61)37-44-73(71)78(72)59-20-12-19-53(45-59)55-35-42-66-64-24-7-6-22-62(64)63-23-8-9-25-65(63)69(66)46-55/h1-48H
InChIKeySKUDIQUCWVBTLO-UHFFFAOYSA-N
MW1021.30 g/mol
LogP21.90
Rot. Bonds8

About N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 89492334) has the molecular formula C76H48N2S and a molecular weight of 1021.30 g/mol. Its IUPAC name is N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID89492334
Molecular FormulaC76H48N2S
Molecular Weight1021.30 g/mol
Exact Mass1020.35
IUPAC NameN-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C76H48N2S/c1-2-15-49(16-3-1)50-31-38-57(39-32-50)77(74-29-14-28-68-67-26-10-11-30-75(67)79-76(68)74)58-40-33-51(34-41-58)54-36-43-72-70(47-54)71-48-56(61-27-13-18-52-17-4-5-21-60(52)61)37-44-73(71)78(72)59-20-12-19-53(45-59)55-35-42-66-64-24-7-6-22-62(64)63-23-8-9-25-65(63)69(66)46-55/h1-48H
InChIKeySKUDIQUCWVBTLO-UHFFFAOYSA-N
XLogP21.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.30
LogP ≤ 521.90
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-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine
CID 89492267
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 89492334) is N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6cccc7ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is SKUDIQUCWVBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2S/c1-2-15-49(16-3-1)50-31-38-57(39-32-50)77(74-29-14-28-68-67-26-10-11-30-75(67)79-76(68)74)58-40-33-51(34-41-58)54-36-43-72-70(47-54)71-48-56(61-27-13-18-52-17-4-5-21-60(52)61)37-44-73(71)78(72)59-20-12-19-53(45-59)55-35-42-66-64-24-7-6-22-62(64)63-23-8-9-25-65(63)69(66)46-55/h1-48H.
What are the key properties of N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 1021.30 g/mol, XLogP of 21.90, 8 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-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 89492334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).