6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine

C70H48N4S — CID 129194367

IUPAC6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c4c3)c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H48N4S/c1-6-19-49(20-7-1)50-33-35-56(36-34-50)72(58-40-44-69-65(46-58)63-42-38-60(48-70(63)75-69)73(54-27-12-4-13-28-54)66-32-18-22-51-21-16-17-31-61(51)66)57-39-43-67-64(45-57)62-41-37-59(47-68(62)74(67)55-29-14-5-15-30-55)71(52-23-8-2-9-24-52)53-25-10-3-11-26-53/h1-48H
InChIKeyOGIUMQYFNCVGFL-UHFFFAOYSA-N
MW977.25 g/mol
LogP20.38
Rot. Bonds11

About 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine

6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine (PubChem CID 129194367) has the molecular formula C70H48N4S and a molecular weight of 977.25 g/mol. Its IUPAC name is 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine.

Molecular Properties

Compound Name6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
PubChem CID129194367
Molecular FormulaC70H48N4S
Molecular Weight977.25 g/mol
Exact Mass976.36
IUPAC Name6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c4c3)c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H48N4S/c1-6-19-49(20-7-1)50-33-35-56(36-34-50)72(58-40-44-69-65(46-58)63-42-38-60(48-70(63)75-69)73(54-27-12-4-13-28-54)66-32-18-22-51-21-16-17-31-61(51)66)57-39-43-67-64(45-57)62-41-37-59(47-68(62)74(67)55-29-14-5-15-30-55)71(52-23-8-2-9-24-52)53-25-10-3-11-26-53/h1-48H
InChIKeyOGIUMQYFNCVGFL-UHFFFAOYSA-N
XLogP20.38
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.25
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine with MolForge

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Related Compounds

6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236

Frequently Asked Questions

What is the IUPAC name of 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine?
The IUPAC name of 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine (CID 129194367) is 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine.
What is the SMILES notation for 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine?
The canonical SMILES for 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine is c1ccc(-c2ccc(N(c3ccc4sc5cc(N(c6ccccc6)c6cccc7ccccc67)ccc5c4c3)c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine?
The InChIKey is OGIUMQYFNCVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4S/c1-6-19-49(20-7-1)50-33-35-56(36-34-50)72(58-40-44-69-65(46-58)63-42-38-60(48-70(63)75-69)73(54-27-12-4-13-28-54)66-32-18-22-51-21-16-17-31-61(51)66)57-39-43-67-64(45-57)62-41-37-59(47-68(62)74(67)55-29-14-5-15-30-55)71(52-23-8-2-9-24-52)53-25-10-3-11-26-53/h1-48H.
What are the key properties of 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine?
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine has a molecular weight of 977.25 g/mol, XLogP of 20.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine is sourced from PubChem (CID 129194367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).