N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine

C154H106N16O2S2 — CID 146650578

IUPACN-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine
SMILESC1=CC(c2ccc(-c3ccc4oc(N(c5ccccc5)c5ccc(C6=CC=C(N(c7ccccc7)c7nc8cc(-c9ccc(-c%10ccccc%10-c%10ccc%11nc(N(c%12ccccc%12)c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14nc%15ccc(-c%16ccccc%16)cc%15s%14)cc%13)cc%12)sc%11c%10)cc9)ccc8o7)CC6)cc5)nc4c3)cc2)CC=C1n1nc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5)cc4)cc3)cc2n1
InChIInChI=1S/C154H106N16O2S2/c1-9-27-103(28-10-1)119-71-91-141-149(99-119)173-153(157-141)167(125-37-19-6-20-38-125)131-83-65-111(66-84-131)112-67-85-132(86-68-112)168(126-39-21-7-22-40-126)154-158-142-92-72-120(100-150(142)174-154)138-44-26-25-43-137(138)116-55-53-115(54-56-116)118-74-96-148-146(98-118)156-152(172-148)166(124-35-17-5-18-36-124)130-81-63-110(64-82-130)109-61-79-129(80-62-109)165(123-33-15-4-16-34-123)151-155-145-97-117(73-95-147(145)171-151)114-51-49-106(50-52-114)113-69-87-134(88-70-113)170-160-140-94-90-136(102-144(140)162-170)164(122-31-13-3-14-32-122)128-77-59-108(60-78-128)105-47-45-104(46-48-105)107-57-75-127(76-58-107)163(121-29-11-2-12-30-121)135-89-93-139-143(101-135)161-169(159-139)133-41-23-8-24-42-133/h1-63,65-69,71-81,83-102,113H,64,70,82H2
InChIKeyACDKWYDXARWJKJ-UHFFFAOYSA-N
MW2276.79 g/mol
LogP41.84
Rot. Bonds30

About N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine

N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine (PubChem CID 146650578) has the molecular formula C154H106N16O2S2 and a molecular weight of 2276.79 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine
PubChem CID146650578
Molecular FormulaC154H106N16O2S2
Molecular Weight2276.79 g/mol
Exact Mass2274.81
IUPAC NameN-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine
SMILESC1=CC(c2ccc(-c3ccc4oc(N(c5ccccc5)c5ccc(C6=CC=C(N(c7ccccc7)c7nc8cc(-c9ccc(-c%10ccccc%10-c%10ccc%11nc(N(c%12ccccc%12)c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14nc%15ccc(-c%16ccccc%16)cc%15s%14)cc%13)cc%12)sc%11c%10)cc9)ccc8o7)CC6)cc5)nc4c3)cc2)CC=C1n1nc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5)cc4)cc3)cc2n1
InChIInChI=1S/C154H106N16O2S2/c1-9-27-103(28-10-1)119-71-91-141-149(99-119)173-153(157-141)167(125-37-19-6-20-38-125)131-83-65-111(66-84-131)112-67-85-132(86-68-112)168(126-39-21-7-22-40-126)154-158-142-92-72-120(100-150(142)174-154)138-44-26-25-43-137(138)116-55-53-115(54-56-116)118-74-96-148-146(98-118)156-152(172-148)166(124-35-17-5-18-36-124)130-81-63-110(64-82-130)109-61-79-129(80-62-109)165(123-33-15-4-16-34-123)151-155-145-97-117(73-95-147(145)171-151)114-51-49-106(50-52-114)113-69-87-134(88-70-113)170-160-140-94-90-136(102-144(140)162-170)164(122-31-13-3-14-32-122)128-77-59-108(60-78-128)105-47-45-104(46-48-105)107-57-75-127(76-58-107)163(121-29-11-2-12-30-121)135-89-93-139-143(101-135)161-169(159-139)133-41-23-8-24-42-133/h1-63,65-69,71-81,83-102,113H,64,70,82H2
InChIKeyACDKWYDXARWJKJ-UHFFFAOYSA-N
XLogP41.84
TPSA158.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002276.79
LogP ≤ 541.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine (CID 146650578) is N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine is C1=CC(c2ccc(-c3ccc4oc(N(c5ccccc5)c5ccc(C6=CC=C(N(c7ccccc7)c7nc8cc(-c9ccc(-c%10ccccc%10-c%10ccc%11nc(N(c%12ccccc%12)c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14nc%15ccc(-c%16ccccc%16)cc%15s%14)cc%13)cc%12)sc%11c%10)cc9)ccc8o7)CC6)cc5)nc4c3)cc2)CC=C1n1nc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7nn(-c8ccccc8)nc7c6)cc5)cc4)cc3)cc2n1.
What is the InChIKey of N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is ACDKWYDXARWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H106N16O2S2/c1-9-27-103(28-10-1)119-71-91-141-149(99-119)173-153(157-141)167(125-37-19-6-20-38-125)131-83-65-111(66-84-131)112-67-85-132(86-68-112)168(126-39-21-7-22-40-126)154-158-142-92-72-120(100-150(142)174-154)138-44-26-25-43-137(138)116-55-53-115(54-56-116)118-74-96-148-146(98-118)156-152(172-148)166(124-35-17-5-18-36-124)130-81-63-110(64-82-130)109-61-79-129(80-62-109)165(123-33-15-4-16-34-123)151-155-145-97-117(73-95-147(145)171-151)114-51-49-106(50-52-114)113-69-87-134(88-70-113)170-160-140-94-90-136(102-144(140)162-170)164(122-31-13-3-14-32-122)128-77-59-108(60-78-128)105-47-45-104(46-48-105)107-57-75-127(76-58-107)163(121-29-11-2-12-30-121)135-89-93-139-143(101-135)161-169(159-139)133-41-23-8-24-42-133/h1-63,65-69,71-81,83-102,113H,64,70,82H2.
What are the key properties of N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine?
N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 2276.79 g/mol, XLogP of 41.84, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(N-[5-[4-[2-[2-(N-[4-[4-(N-(6-phenyl-1,3-benzothiazol-2-yl)anilino)phenyl]phenyl]anilino)-1,3-benzothiazol-6-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)cyclohexa-1,3-dien-1-yl]phenyl]-5-[4-[4-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 146650578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).