N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine

C52H34N2S — CID 144990462

IUPACN-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3cccc4ccccc34)c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-39(17-4-1)53(41-27-29-52-48(34-41)47-22-10-12-25-51(47)55-52)42-31-37(30-38(32-42)44-23-13-15-35-14-7-8-20-43(35)44)36-26-28-46-45-21-9-11-24-49(45)54(50(46)33-36)40-18-5-2-6-19-40/h1-34H
InChIKeyYOGMTHJWSDHGCE-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine

N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 144990462) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID144990462
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3cccc4ccccc34)c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-39(17-4-1)53(41-27-29-52-48(34-41)47-22-10-12-25-51(47)55-52)42-31-37(30-38(32-42)44-23-13-15-35-14-7-8-20-43(35)44)36-26-28-46-45-21-9-11-24-49(45)54(50(46)33-36)40-18-5-2-6-19-40/h1-34H
InChIKeyYOGMTHJWSDHGCE-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-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
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-[3-carbazol-9-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 144888534
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
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-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
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
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830

Frequently Asked Questions

What is the IUPAC name of N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine (CID 144990462) is N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(-c3cccc4ccccc34)c2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is YOGMTHJWSDHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-16-39(17-4-1)53(41-27-29-52-48(34-41)47-22-10-12-25-51(47)55-52)42-31-37(30-38(32-42)44-23-13-15-35-14-7-8-20-43(35)44)36-26-28-46-45-21-9-11-24-49(45)54(50(46)33-36)40-18-5-2-6-19-40/h1-34H.
What are the key properties of N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine?
N-[3-naphthalen-1-yl-5-(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-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 144990462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).