2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine

C58H37N3S2 — CID 154965730

IUPAC2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H37N3S2/c1-3-17-40(18-4-1)60(41-19-5-2-6-20-41)52-34-45(35-53-58(52)50-23-9-12-24-51(50)61(53)42-28-27-38-15-7-8-16-39(38)33-42)59(43-29-31-48-46-21-10-13-25-54(46)62-56(48)36-43)44-30-32-49-47-22-11-14-26-55(47)63-57(49)37-44/h1-37H
InChIKeyCENNKSHAEVVUSL-UHFFFAOYSA-N
MW840.09 g/mol
LogP17.61
Rot. Bonds7

About 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine

2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine (PubChem CID 154965730) has the molecular formula C58H37N3S2 and a molecular weight of 840.09 g/mol. Its IUPAC name is 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
PubChem CID154965730
Molecular FormulaC58H37N3S2
Molecular Weight840.09 g/mol
Exact Mass839.24
IUPAC Name2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C58H37N3S2/c1-3-17-40(18-4-1)60(41-19-5-2-6-20-41)52-34-45(35-53-58(52)50-23-9-12-24-51(50)61(53)42-28-27-38-15-7-8-16-39(38)33-42)59(43-29-31-48-46-21-10-13-25-54(46)62-56(48)36-43)44-30-32-49-47-22-11-14-26-55(47)63-57(49)37-44/h1-37H
InChIKeyCENNKSHAEVVUSL-UHFFFAOYSA-N
XLogP17.61
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.09
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-dibenzothiophen-1-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-2-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-3-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 159922399
2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 160812131
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125614
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965960
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860
N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-dibenzothiophen-3-yldibenzothiophen-3-amine
CID 126683194
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 158774946
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine (CID 154965730) is 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?
The InChIKey is CENNKSHAEVVUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S2/c1-3-17-40(18-4-1)60(41-19-5-2-6-20-41)52-34-45(35-53-58(52)50-23-9-12-24-51(50)61(53)42-28-27-38-15-7-8-16-39(38)33-42)59(43-29-31-48-46-21-10-13-25-54(46)62-56(48)36-43)44-30-32-49-47-22-11-14-26-55(47)63-57(49)37-44/h1-37H.
What are the key properties of 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine has a molecular weight of 840.09 g/mol, XLogP of 17.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine is sourced from PubChem (CID 154965730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).