N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine

C116H76N12O2S2 — CID 146650637

IUPACN-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(C6Nc7ccccc7O6)cc5)cc4)c3)cc2)c2ccc(-c3nc4cc(-c5ccc6nn(-c7cccc(N(c8ccc(-c9ccc(N(c%10cccc(-n%11nc%12ccccc%12n%11)c%10)c%10ccc%11sc%12ccccc%12c%11c%10)cc9)cc8)c8ccc9sc%10ccccc%10c9c8)c7)nc6c5)ccc4o3)cc2)cc1
InChIInChI=1S/C116H76N12O2S2/c1-3-20-85(21-4-1)123(89-58-44-79(45-59-89)115-117-106-32-11-12-33-109(106)129-115)87-54-40-77(41-55-87)81-18-15-19-82(68-81)78-42-56-88(57-43-78)124(86-22-5-2-6-23-86)90-60-46-80(47-61-90)116-118-108-70-84(49-65-110(108)130-116)83-48-64-105-107(69-83)122-128(121-105)98-27-17-25-94(72-98)126(96-63-67-114-102(74-96)100-29-8-14-35-112(100)132-114)92-52-38-76(39-53-92)75-36-50-91(51-37-75)125(95-62-66-113-101(73-95)99-28-7-13-34-111(99)131-113)93-24-16-26-97(71-93)127-119-103-30-9-10-31-104(103)120-127/h1-74,115,117H
InChIKeyLNVOJALSDKDFBQ-UHFFFAOYSA-N
MW1734.10 g/mol
LogP31.75
Rot. Bonds20

About N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine

N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 146650637) has the molecular formula C116H76N12O2S2 and a molecular weight of 1734.10 g/mol. Its IUPAC name is N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID146650637
Molecular FormulaC116H76N12O2S2
Molecular Weight1734.10 g/mol
Exact Mass1732.57
IUPAC NameN-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(C6Nc7ccccc7O6)cc5)cc4)c3)cc2)c2ccc(-c3nc4cc(-c5ccc6nn(-c7cccc(N(c8ccc(-c9ccc(N(c%10cccc(-n%11nc%12ccccc%12n%11)c%10)c%10ccc%11sc%12ccccc%12c%11c%10)cc9)cc8)c8ccc9sc%10ccccc%10c9c8)c7)nc6c5)ccc4o3)cc2)cc1
InChIInChI=1S/C116H76N12O2S2/c1-3-20-85(21-4-1)123(89-58-44-79(45-59-89)115-117-106-32-11-12-33-109(106)129-115)87-54-40-77(41-55-87)81-18-15-19-82(68-81)78-42-56-88(57-43-78)124(86-22-5-2-6-23-86)90-60-46-80(47-61-90)116-118-108-70-84(49-65-110(108)130-116)83-48-64-105-107(69-83)122-128(121-105)98-27-17-25-94(72-98)126(96-63-67-114-102(74-96)100-29-8-14-35-112(100)132-114)92-52-38-76(39-53-92)75-36-50-91(51-37-75)125(95-62-66-113-101(73-95)99-28-7-13-34-111(99)131-113)93-24-16-26-97(71-93)127-119-103-30-9-10-31-104(103)120-127/h1-74,115,117H
InChIKeyLNVOJALSDKDFBQ-UHFFFAOYSA-N
XLogP31.75
TPSA121.67 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.10
LogP ≤ 531.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

10-(3-Dibenzothiophen-2-ylphenyl)-7-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-1-yl]-2-phenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863731
10-(3-Dibenzothiophen-2-ylphenyl)-7-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2-phenyl-[1,3]oxazolo[5,4-a]carbazole
CID 117863900
4-[2-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-5-(1H-indazol-3-yl)-1,3-benzoxazol-6-yl]-2,1,3-benzoxadiazole
CID 141107369
N-[[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]methyl]-N-[3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)-3-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]phenyl]dibenzothiophen-2-amine
CID 146650609
2-[6-(1,3-Benzoxazol-2-yl)-9-dibenzothiophen-2-ylcarbazol-3-yl]-1,3-benzoxazole
CID 155366606
5-Dibenzofuran-4-yl-12-phenylindolo[3,2-c]carbazole;5-(4-dibenzofuran-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 157777702
5-Dibenzofuran-4-yl-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-2-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 157851827
N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158624273
N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N,2-diphenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-2-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 159688611
N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[3-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)anilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]-2,3,4,5,6-pentadeuterioaniline;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 160181884
4-[3-[4-(N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine
CID 160364356
N-[4-[4-[3-(benzotriazol-2-yl)-N-dibenzothiophen-2-ylanilino]phenyl]phenyl]-N-[3-(benzotriazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 161367621

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine (CID 146650637) is N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(C6Nc7ccccc7O6)cc5)cc4)c3)cc2)c2ccc(-c3nc4cc(-c5ccc6nn(-c7cccc(N(c8ccc(-c9ccc(N(c%10cccc(-n%11nc%12ccccc%12n%11)c%10)c%10ccc%11sc%12ccccc%12c%11c%10)cc9)cc8)c8ccc9sc%10ccccc%10c9c8)c7)nc6c5)ccc4o3)cc2)cc1.
What is the InChIKey of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is LNVOJALSDKDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H76N12O2S2/c1-3-20-85(21-4-1)123(89-58-44-79(45-59-89)115-117-106-32-11-12-33-109(106)129-115)87-54-40-77(41-55-87)81-18-15-19-82(68-81)78-42-56-88(57-43-78)124(86-22-5-2-6-23-86)90-60-46-80(47-61-90)116-118-108-70-84(49-65-110(108)130-116)83-48-64-105-107(69-83)122-128(121-105)98-27-17-25-94(72-98)126(96-63-67-114-102(74-96)100-29-8-14-35-112(100)132-114)92-52-38-76(39-53-92)75-36-50-91(51-37-75)125(95-62-66-113-101(73-95)99-28-7-13-34-111(99)131-113)93-24-16-26-97(71-93)127-119-103-30-9-10-31-104(103)120-127/h1-74,115,117H.
What are the key properties of N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine?
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 1734.10 g/mol, XLogP of 31.75, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-2-yl)phenyl]-N-[4-[4-[N-dibenzothiophen-2-yl-3-[5-[2-[4-(N-[4-[3-[4-(N-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]benzotriazol-2-yl]anilino]phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 146650637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).