N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine

C58H37N3S — CID 144888534

IUPACN-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C58H37N3S/c1-2-16-42(17-3-1)60-53-22-10-8-20-49(53)50-30-27-40(35-56(50)60)41-33-45(36-46(34-41)61-54-23-11-6-18-47(54)48-19-7-12-24-55(48)61)59(43-28-26-38-14-4-5-15-39(38)32-43)44-29-31-58-52(37-44)51-21-9-13-25-57(51)62-58/h1-37H
InChIKeyDQXIWPGGFZNUDM-UHFFFAOYSA-N
MW808.02 g/mol
LogP16.54
Rot. Bonds6

About N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine

N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine (PubChem CID 144888534) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
PubChem CID144888534
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC NameN-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C58H37N3S/c1-2-16-42(17-3-1)60-53-22-10-8-20-49(53)50-30-27-40(35-56(50)60)41-33-45(36-46(34-41)61-54-23-11-6-18-47(54)48-19-7-12-24-55(48)61)59(43-28-26-38-14-4-5-15-39(38)32-43)44-29-31-58-52(37-44)51-21-9-13-25-57(51)62-58/h1-37H
InChIKeyDQXIWPGGFZNUDM-UHFFFAOYSA-N
XLogP16.54
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
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-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 118349662
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
3-N-dibenzothiophen-2-yl-3-N-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-3-N-naphthalen-2-yl-1-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N-(3-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 158792080
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578915
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153

Frequently Asked Questions

What is the IUPAC name of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine (CID 144888534) is N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine is c1ccc(-n2c3ccccc3c3ccc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6sc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1.
What is the InChIKey of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The InChIKey is DQXIWPGGFZNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-2-16-42(17-3-1)60-53-22-10-8-20-49(53)50-30-27-40(35-56(50)60)41-33-45(36-46(34-41)61-54-23-11-6-18-47(54)48-19-7-12-24-55(48)61)59(43-28-26-38-14-4-5-15-39(38)32-43)44-29-31-58-52(37-44)51-21-9-13-25-57(51)62-58/h1-37H.
What are the key properties of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine has a molecular weight of 808.02 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 144888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).