N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine

C58H37N3S — CID 163874479

IUPACN-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8sc9ccccc9c8c7)cc6)c5c4)cccc32)cc1
InChIInChI=1S/C58H37N3S/c1-2-15-41(16-3-1)60-53-22-10-7-19-50(53)58-46(20-12-23-54(58)60)40-26-33-48-47-17-6-9-21-52(47)61(55(48)36-40)43-30-28-42(29-31-43)59(44-27-25-38-13-4-5-14-39(38)35-44)45-32-34-57-51(37-45)49-18-8-11-24-56(49)62-57/h1-37H
InChIKeyPNRHPHKBIIDYDC-UHFFFAOYSA-N
MW808.02 g/mol
LogP16.54
Rot. Bonds6

About N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine

N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine (PubChem CID 163874479) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
PubChem CID163874479
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC NameN-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8sc9ccccc9c8c7)cc6)c5c4)cccc32)cc1
InChIInChI=1S/C58H37N3S/c1-2-15-41(16-3-1)60-53-22-10-7-19-50(53)58-46(20-12-23-54(58)60)40-26-33-48-47-17-6-9-21-52(47)61(55(48)36-40)43-30-28-42(29-31-43)59(44-27-25-38-13-4-5-14-39(38)35-44)45-32-34-57-51(37-45)49-18-8-11-24-56(49)62-57/h1-37H
InChIKeyPNRHPHKBIIDYDC-UHFFFAOYSA-N
XLogP16.54
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 144888534
N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 118349662
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
3-N-dibenzothiophen-2-yl-3-N-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-3-N-naphthalen-2-yl-1-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N-(3-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 158792080
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009594
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine (CID 163874479) is N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8sc9ccccc9c8c7)cc6)c5c4)cccc32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine?
The InChIKey is PNRHPHKBIIDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-2-15-41(16-3-1)60-53-22-10-7-19-50(53)58-46(20-12-23-54(58)60)40-26-33-48-47-17-6-9-21-52(47)61(55(48)36-40)43-30-28-42(29-31-43)59(44-27-25-38-13-4-5-14-39(38)35-44)45-32-34-57-51(37-45)49-18-8-11-24-56(49)62-57/h1-37H.
What are the key properties of N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine?
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine has a molecular weight of 808.02 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 163874479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).