N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine

C50H32N4S — CID 170254249

IUPACN-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-13-33(14-4-1)39-17-7-8-18-40(39)41-19-9-11-21-46(41)53(38-28-29-43-42-20-10-12-22-47(42)55-48(43)32-38)37-27-25-34-23-24-35-26-30-45-50(49(35)44(34)31-37)52-54(51-45)36-15-5-2-6-16-36/h1-32H
InChIKeyGSSKRVXRVHWCSF-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.90
Rot. Bonds6

About N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine

N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine (PubChem CID 170254249) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
PubChem CID170254249
Molecular FormulaC50H32N4S
Molecular Weight720.90 g/mol
Exact Mass720.23
IUPAC NameN-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-13-33(14-4-1)39-17-7-8-18-40(39)41-19-9-11-21-46(41)53(38-28-29-43-42-20-10-12-22-47(42)55-48(43)32-38)37-27-25-34-23-24-35-26-30-45-50(49(35)44(34)31-37)52-54(51-45)36-15-5-2-6-16-36/h1-32H
InChIKeyGSSKRVXRVHWCSF-UHFFFAOYSA-N
XLogP13.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502601
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164740360
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167411449
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-dibenzothiophen-3-yl-7-naphthalen-2-yl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847627
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine?
The IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine (CID 170254249) is N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccc4ccc5nn(-c6ccccc6)nc5c4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine?
The InChIKey is GSSKRVXRVHWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-3-13-33(14-4-1)39-17-7-8-18-40(39)41-19-9-11-21-46(41)53(38-28-29-43-42-20-10-12-22-47(42)55-48(43)32-38)37-27-25-34-23-24-35-26-30-45-50(49(35)44(34)31-37)52-54(51-45)36-15-5-2-6-16-36/h1-32H.
What are the key properties of N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine?
N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine has a molecular weight of 720.90 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine is sourced from PubChem (CID 170254249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).