1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C68H43N3S2 — CID 88873441

IUPAC1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C68H43N3S2/c1-2-18-50(19-3-1)71-63-23-11-8-20-57(63)60-40-48(28-33-64(60)71)49-38-55(69(51-29-26-44-14-4-6-16-46(44)36-51)53-31-34-67-61(42-53)58-21-9-12-24-65(58)72-67)41-56(39-49)70(52-30-27-45-15-5-7-17-47(45)37-52)54-32-35-68-62(43-54)59-22-10-13-25-66(59)73-68/h1-43H
InChIKeyLZYZJPVBOJLOTC-UHFFFAOYSA-N
MW966.25 g/mol
LogP20.43
Rot. Bonds8

About 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 88873441) has the molecular formula C68H43N3S2 and a molecular weight of 966.25 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID88873441
Molecular FormulaC68H43N3S2
Molecular Weight966.25 g/mol
Exact Mass965.29
IUPAC Name1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C68H43N3S2/c1-2-18-50(19-3-1)71-63-23-11-8-20-57(63)60-40-48(28-33-64(60)71)49-38-55(69(51-29-26-44-14-4-6-16-46(44)36-51)53-31-34-67-61(42-53)58-21-9-12-24-65(58)72-67)41-56(39-49)70(52-30-27-45-15-5-7-17-47(45)37-52)54-32-35-68-62(43-54)59-22-10-13-25-66(59)73-68/h1-43H
InChIKeyLZYZJPVBOJLOTC-UHFFFAOYSA-N
XLogP20.43
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.25
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 144888534
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175591
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118011351

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 88873441) is 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is LZYZJPVBOJLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3S2/c1-2-18-50(19-3-1)71-63-23-11-8-20-57(63)60-40-48(28-33-64(60)71)49-38-55(69(51-29-26-44-14-4-6-16-46(44)36-51)53-31-34-67-61(42-53)58-21-9-12-24-65(58)72-67)41-56(39-49)70(52-30-27-45-15-5-7-17-47(45)37-52)54-32-35-68-62(43-54)59-22-10-13-25-66(59)73-68/h1-43H.
What are the key properties of 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 966.25 g/mol, XLogP of 20.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 88873441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).