7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine

C49H34N2S2 — CID 164707306

IUPAC7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C49H34N2S2/c1-33-21-23-37(24-22-33)50(35-15-7-3-8-16-35)39-26-28-47-44(30-39)49-42(34-13-5-2-6-14-34)31-40(32-48(49)53-47)51(36-17-9-4-10-18-36)38-25-27-46-43(29-38)41-19-11-12-20-45(41)52-46/h2-32H,1H3
InChIKeyNUGTXNITZCUMQS-UHFFFAOYSA-N
MW714.96 g/mol
LogP15.34
Rot. Bonds7

About 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine

7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine (PubChem CID 164707306) has the molecular formula C49H34N2S2 and a molecular weight of 714.96 g/mol. Its IUPAC name is 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
PubChem CID164707306
Molecular FormulaC49H34N2S2
Molecular Weight714.96 g/mol
Exact Mass714.22
IUPAC Name7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc(-c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C49H34N2S2/c1-33-21-23-37(24-22-33)50(35-15-7-3-8-16-35)39-26-28-47-44(30-39)49-42(34-13-5-2-6-14-34)31-40(32-48(49)53-47)51(36-17-9-4-10-18-36)38-25-27-46-43(29-38)41-19-11-12-20-45(41)52-46/h2-32H,1H3
InChIKeyNUGTXNITZCUMQS-UHFFFAOYSA-N
XLogP15.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.96
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158900066
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]dibenzothiophen-2-amine
CID 23593343
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158836219
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
CID 158283739
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine (CID 164707306) is 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine is Cc1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc(-c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine?
The InChIKey is NUGTXNITZCUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S2/c1-33-21-23-37(24-22-33)50(35-15-7-3-8-16-35)39-26-28-47-44(30-39)49-42(34-13-5-2-6-14-34)31-40(32-48(49)53-47)51(36-17-9-4-10-18-36)38-25-27-46-43(29-38)41-19-11-12-20-45(41)52-46/h2-32H,1H3.
What are the key properties of 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine?
7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine has a molecular weight of 714.96 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 164707306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).