N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C52H36N2S — CID 144844325

IUPACN-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)ccc32)Cc2c1sc1ccccc21
InChIInChI=1S/C52H36N2S/c1-2-16-39(17-3-1)53(41-27-25-35-13-4-5-14-36(35)31-41)40-18-12-15-37(32-40)43-19-6-7-20-44(43)38-26-29-50-47(33-38)45-21-8-10-23-49(45)54(50)42-28-30-52-48(34-42)46-22-9-11-24-51(46)55-52/h1-33,42H,34H2
InChIKeyWZROGSNJHFMUPW-UHFFFAOYSA-N
MW720.94 g/mol
LogP14.78
Rot. Bonds6

About N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 144844325) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID144844325
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESC1=CC(n2c3ccccc3c3cc(-c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)ccc32)Cc2c1sc1ccccc21
InChIInChI=1S/C52H36N2S/c1-2-16-39(17-3-1)53(41-27-25-35-13-4-5-14-36(35)31-41)40-18-12-15-37(32-40)43-19-6-7-20-44(43)38-26-29-50-47(33-38)45-21-8-10-23-49(45)54(50)42-28-30-52-48(34-42)46-22-9-11-24-51(46)55-52/h1-33,42H,34H2
InChIKeyWZROGSNJHFMUPW-UHFFFAOYSA-N
XLogP14.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-[3-[1-(4-chlorophenyl)dibenzothiophen-4-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167231318

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 144844325) is N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is C1=CC(n2c3ccccc3c3cc(-c4ccccc4-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)ccc32)Cc2c1sc1ccccc21.
What is the InChIKey of N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is WZROGSNJHFMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-2-16-39(17-3-1)53(41-27-25-35-13-4-5-14-36(35)31-41)40-18-12-15-37(32-40)43-19-6-7-20-44(43)38-26-29-50-47(33-38)45-21-8-10-23-49(45)54(50)42-28-30-52-48(34-42)46-22-9-11-24-51(46)55-52/h1-33,42H,34H2.
What are the key properties of N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 720.94 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[9-(1,2-dihydrodibenzothiophen-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 144844325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).