N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine

C52H34N2S — CID 118349662

IUPACN-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc4ccccc4c3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-40(16-4-1)53(42-27-30-52-47(34-42)45-20-10-12-22-51(45)55-52)49-29-26-38(37-24-23-35-13-7-8-14-36(35)31-37)32-46(49)39-25-28-44-43-19-9-11-21-48(43)54(50(44)33-39)41-17-5-2-6-18-41/h1-34H
InChIKeyRMKNYMSBBUZZCI-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine

N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 118349662) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID118349662
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc4ccccc4c3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-40(16-4-1)53(42-27-30-52-47(34-42)45-20-10-12-22-51(45)55-52)49-29-26-38(37-24-23-35-13-7-8-14-36(35)31-37)32-46(49)39-25-28-44-43-19-9-11-21-48(43)54(50(44)33-39)41-17-5-2-6-18-41/h1-34H
InChIKeyRMKNYMSBBUZZCI-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 144888534
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
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-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
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
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596

Frequently Asked Questions

What is the IUPAC name of N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine (CID 118349662) is N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc4ccccc4c3)cc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is RMKNYMSBBUZZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-15-40(16-4-1)53(42-27-30-52-47(34-42)45-20-10-12-22-51(45)55-52)49-29-26-38(37-24-23-35-13-7-8-14-36(35)31-37)32-46(49)39-25-28-44-43-19-9-11-21-48(43)54(50(44)33-39)41-17-5-2-6-18-41/h1-34H.
What are the key properties of N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 118349662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).