5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C70H48N4S — CID 146588764

IUPAC5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C70H48N4S/c1-6-22-50(23-7-1)71(51-24-8-2-9-25-51)57-44-49(45-58(46-57)72(52-26-10-3-11-27-52)53-28-12-4-13-29-53)59-42-43-67(61-33-17-16-32-60(59)61)73(56-39-41-65-64-35-19-21-37-69(64)75-70(65)48-56)55-38-40-63-62-34-18-20-36-66(62)74(68(63)47-55)54-30-14-5-15-31-54/h1-48H
InChIKeyNFKQQPFRANYXQS-UHFFFAOYSA-N
MW977.25 g/mol
LogP20.38
Rot. Bonds11

About 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 146588764) has the molecular formula C70H48N4S and a molecular weight of 977.25 g/mol. Its IUPAC name is 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID146588764
Molecular FormulaC70H48N4S
Molecular Weight977.25 g/mol
Exact Mass976.36
IUPAC Name5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C70H48N4S/c1-6-22-50(23-7-1)71(51-24-8-2-9-25-51)57-44-49(45-58(46-57)72(52-26-10-3-11-27-52)53-28-12-4-13-29-53)59-42-43-67(61-33-17-16-32-60(59)61)73(56-39-41-65-64-35-19-21-37-69(64)75-70(65)48-56)55-38-40-63-62-34-18-20-36-66(62)74(68(63)47-55)54-30-14-5-15-31-54/h1-48H
InChIKeyNFKQQPFRANYXQS-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 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275264
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119

Frequently Asked Questions

What is the IUPAC name of 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 146588764) is 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is NFKQQPFRANYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4S/c1-6-22-50(23-7-1)71(51-24-8-2-9-25-51)57-44-49(45-58(46-57)72(52-26-10-3-11-27-52)53-28-12-4-13-29-53)59-42-43-67(61-33-17-16-32-60(59)61)73(56-39-41-65-64-35-19-21-37-69(64)75-70(65)48-56)55-38-40-63-62-34-18-20-36-66(62)74(68(63)47-55)54-30-14-5-15-31-54/h1-48H.
What are the key properties of 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-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 5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 146588764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).