N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine

C50H33N3S — CID 169281011

IUPACN-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)cc2)cc1
InChIInChI=1S/C50H33N3S/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)53(40-21-12-20-38(32-40)35-16-6-2-7-17-35)41-30-31-43-47(33-41)54-46-25-13-23-44(48(43)46)50-51-45-24-11-10-22-42(45)49(52-50)37-18-8-3-9-19-37/h1-33H
InChIKeyDEUCHMMMUJGAHI-UHFFFAOYSA-N
MW707.90 g/mol
LogP14.14
Rot. Bonds7

About N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine (PubChem CID 169281011) has the molecular formula C50H33N3S and a molecular weight of 707.90 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
PubChem CID169281011
Molecular FormulaC50H33N3S
Molecular Weight707.90 g/mol
Exact Mass707.24
IUPAC NameN-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)cc2)cc1
InChIInChI=1S/C50H33N3S/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)53(40-21-12-20-38(32-40)35-16-6-2-7-17-35)41-30-31-43-47(33-41)54-46-25-13-23-44(48(43)46)50-51-45-24-11-10-22-42(45)49(52-50)37-18-8-3-9-19-37/h1-33H
InChIKeyDEUCHMMMUJGAHI-UHFFFAOYSA-N
XLogP14.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-phenylphenyl)-9-[2-(4-phenylquinazolin-2-yl)phenyl]dibenzothiophen-3-amine
CID 169280902
N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine
CID 176818365
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 155328859
N-[4-[3-(6-phenylnaphthalen-2-yl)quinolin-2-yl]phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170652888
N,4-diphenyl-N-[4-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-1-yl]phenyl]aniline
CID 170253269
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
4-phenyl-2-(23-thiahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)quinazoline
CID 164840614
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
4-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-N,N-diphenylaniline
CID 169280921
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine (CID 169281011) is N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c34)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine?
The InChIKey is DEUCHMMMUJGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3S/c1-4-14-34(15-5-1)36-26-28-39(29-27-36)53(40-21-12-20-38(32-40)35-16-6-2-7-17-35)41-30-31-43-47(33-41)54-46-25-13-23-44(48(43)46)50-51-45-24-11-10-22-42(45)49(52-50)37-18-8-3-9-19-37/h1-33H.
What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine?
N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine has a molecular weight of 707.90 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 169281011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).