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

C118H80N12O2S2 — CID 146650609

IUPACN-[[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
SMILESCC1C=C(c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc8nn(-c9cccc(N(Cc%10ccc(-c%11ccc(N(c%12cccc(-n%13nc%14ccccc%14n%13)c%12)c%12ccc%13sc%14ccccc%14c%13c%12)cc%11)cc%10)c%10ccc%11sc%12ccccc%12c%11c%10)c9)nc8c7)ccc6o5)cc4)cc3)c2)C=CC1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C118H80N12O2S2/c1-76-67-85(50-63-110(76)128(89-23-6-3-7-24-89)93-58-47-81(48-59-93)117-119-107-33-12-13-34-111(107)131-117)84-20-16-19-83(68-84)80-43-54-90(55-44-80)126(88-21-4-2-5-22-88)91-56-45-82(46-57-91)118-120-109-70-87(51-64-112(109)132-118)86-49-62-106-108(69-86)124-130(123-106)98-27-17-25-94(71-98)125(95-60-65-115-102(73-95)100-29-8-14-35-113(100)133-115)75-77-37-39-78(40-38-77)79-41-52-92(53-42-79)127(97-61-66-116-103(74-97)101-30-9-15-36-114(101)134-116)96-26-18-28-99(72-96)129-121-104-31-10-11-32-105(104)122-129/h2-74,76,110H,75H2,1H3
InChIKeyRVSILYLWJAZADC-UHFFFAOYSA-N
MW1762.15 g/mol
LogP31.58
Rot. Bonds21

About 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

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 (PubChem CID 146650609) has the molecular formula C118H80N12O2S2 and a molecular weight of 1762.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID146650609
Molecular FormulaC118H80N12O2S2
Molecular Weight1762.15 g/mol
Exact Mass1760.60
IUPAC NameN-[[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
SMILESCC1C=C(c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc8nn(-c9cccc(N(Cc%10ccc(-c%11ccc(N(c%12cccc(-n%13nc%14ccccc%14n%13)c%12)c%12ccc%13sc%14ccccc%14c%13c%12)cc%11)cc%10)c%10ccc%11sc%12ccccc%12c%11c%10)c9)nc8c7)ccc6o5)cc4)cc3)c2)C=CC1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C118H80N12O2S2/c1-76-67-85(50-63-110(76)128(89-23-6-3-7-24-89)93-58-47-81(48-59-93)117-119-107-33-12-13-34-111(107)131-117)84-20-16-19-83(68-84)80-43-54-90(55-44-80)126(88-21-4-2-5-22-88)91-56-45-82(46-57-91)118-120-109-70-87(51-64-112(109)132-118)86-49-62-106-108(69-86)124-130(123-106)98-27-17-25-94(71-98)125(95-60-65-115-102(73-95)100-29-8-14-35-113(100)133-115)75-77-37-39-78(40-38-77)79-41-52-92(53-42-79)127(97-61-66-116-103(74-97)101-30-9-15-36-114(101)134-116)96-26-18-28-99(72-96)129-121-104-31-10-11-32-105(104)122-129/h2-74,76,110H,75H2,1H3
InChIKeyRVSILYLWJAZADC-UHFFFAOYSA-N
XLogP31.58
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.15
LogP ≤ 531.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=C(c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc8nn(-c9cccc(N(Cc%10ccc(-c%11ccc(N(c%12cccc(-n%13nc%14ccccc%14n%13)c%12)c%12ccc%13sc%14ccccc%14c%13c%12)cc%11)cc%10)c%10ccc%11sc%12ccccc%12c%11c%10)c9)nc8c7)ccc6o5)cc4)cc3)c2)C=CC1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 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?
The InChIKey is RVSILYLWJAZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H80N12O2S2/c1-76-67-85(50-63-110(76)128(89-23-6-3-7-24-89)93-58-47-81(48-59-93)117-119-107-33-12-13-34-111(107)131-117)84-20-16-19-83(68-84)80-43-54-90(55-44-80)126(88-21-4-2-5-22-88)91-56-45-82(46-57-91)118-120-109-70-87(51-64-112(109)132-118)86-49-62-106-108(69-86)124-130(123-106)98-27-17-25-94(71-98)125(95-60-65-115-102(73-95)100-29-8-14-35-113(100)133-115)75-77-37-39-78(40-38-77)79-41-52-92(53-42-79)127(97-61-66-116-103(74-97)101-30-9-15-36-114(101)134-116)96-26-18-28-99(72-96)129-121-104-31-10-11-32-105(104)122-129/h2-74,76,110H,75H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1762.15 g/mol, XLogP of 31.58, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146650609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).