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

C154H102N16O2S2 — CID 146650563

IUPACN-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(-c2ccc3nc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8-c8ccc(-c9ccc%10oc(N(c%11ccccc%11)c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13nc%14cc(-c%15cccc(-c%16cccc(-n%17nc%18ccc(N(c%19ccccc%19)c%19ccc(-c%20ccc(-c%21ccc(N(c%22ccccc%22)c%22ccc%23nn(-c%24ccccc%24)nc%23c%22)cc%21)cc%20)cc%19)cc%18n%17)c%16)c%15)ccc%14o%13)cc%12)cc%11)nc%10c9)cc8)cc7s6)cc5)cc4)sc3c2)cc1
InChIInChI=1S/C154H102N16O2S2/c1-9-29-103(30-10-1)119-71-89-141-149(99-119)173-153(157-141)167(125-42-19-6-20-43-125)131-83-67-110(68-84-131)111-69-85-132(86-70-111)168(126-44-21-7-22-45-126)154-158-142-90-72-120(100-150(142)174-154)138-50-26-25-49-137(138)113-57-55-112(56-58-113)117-73-93-147-145(97-117)155-151(171-147)165(123-38-15-4-16-39-123)129-79-63-108(64-80-129)109-65-81-130(82-66-109)166(124-40-17-5-18-41-124)152-156-146-98-118(74-94-148(146)172-152)115-32-27-31-114(95-115)116-33-28-48-136(96-116)170-160-140-92-88-135(102-144(140)162-170)164(122-36-13-3-14-37-122)128-77-61-107(62-78-128)105-53-51-104(52-54-105)106-59-75-127(76-60-106)163(121-34-11-2-12-35-121)134-87-91-139-143(101-134)161-169(159-139)133-46-23-8-24-47-133/h1-102H
InChIKeyMBHAGFTUXGHSOL-UHFFFAOYSA-N
MW2272.75 g/mol
LogP42.15
Rot. Bonds30

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

N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine (PubChem CID 146650563) has the molecular formula C154H102N16O2S2 and a molecular weight of 2272.75 g/mol. Its IUPAC name is N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine
PubChem CID146650563
Molecular FormulaC154H102N16O2S2
Molecular Weight2272.75 g/mol
Exact Mass2270.78
IUPAC NameN-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(-c2ccc3nc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8-c8ccc(-c9ccc%10oc(N(c%11ccccc%11)c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13nc%14cc(-c%15cccc(-c%16cccc(-n%17nc%18ccc(N(c%19ccccc%19)c%19ccc(-c%20ccc(-c%21ccc(N(c%22ccccc%22)c%22ccc%23nn(-c%24ccccc%24)nc%23c%22)cc%21)cc%20)cc%19)cc%18n%17)c%16)c%15)ccc%14o%13)cc%12)cc%11)nc%10c9)cc8)cc7s6)cc5)cc4)sc3c2)cc1
InChIInChI=1S/C154H102N16O2S2/c1-9-29-103(30-10-1)119-71-89-141-149(99-119)173-153(157-141)167(125-42-19-6-20-43-125)131-83-67-110(68-84-131)111-69-85-132(86-70-111)168(126-44-21-7-22-45-126)154-158-142-90-72-120(100-150(142)174-154)138-50-26-25-49-137(138)113-57-55-112(56-58-113)117-73-93-147-145(97-117)155-151(171-147)165(123-38-15-4-16-39-123)129-79-63-108(64-80-129)109-65-81-130(82-66-109)166(124-40-17-5-18-41-124)152-156-146-98-118(74-94-148(146)172-152)115-32-27-31-114(95-115)116-33-28-48-136(96-116)170-160-140-92-88-135(102-144(140)162-170)164(122-36-13-3-14-37-122)128-77-61-107(62-78-128)105-53-51-104(52-54-105)106-59-75-127(76-60-106)163(121-34-11-2-12-35-121)134-87-91-139-143(101-134)161-169(159-139)133-46-23-8-24-47-133/h1-102H
InChIKeyMBHAGFTUXGHSOL-UHFFFAOYSA-N
XLogP42.15
TPSA158.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.75
LogP ≤ 542.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine (CID 146650563) is N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine is c1ccc(-c2ccc3nc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8-c8ccc(-c9ccc%10oc(N(c%11ccccc%11)c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13nc%14cc(-c%15cccc(-c%16cccc(-n%17nc%18ccc(N(c%19ccccc%19)c%19ccc(-c%20ccc(-c%21ccc(N(c%22ccccc%22)c%22ccc%23nn(-c%24ccccc%24)nc%23c%22)cc%21)cc%20)cc%19)cc%18n%17)c%16)c%15)ccc%14o%13)cc%12)cc%11)nc%10c9)cc8)cc7s6)cc5)cc4)sc3c2)cc1.
What is the InChIKey of N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is MBHAGFTUXGHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H102N16O2S2/c1-9-29-103(30-10-1)119-71-89-141-149(99-119)173-153(157-141)167(125-42-19-6-20-43-125)131-83-67-110(68-84-131)111-69-85-132(86-70-111)168(126-44-21-7-22-45-126)154-158-142-90-72-120(100-150(142)174-154)138-50-26-25-49-137(138)113-57-55-112(56-58-113)117-73-93-147-145(97-117)155-151(171-147)165(123-38-15-4-16-39-123)129-79-63-108(64-80-129)109-65-81-130(82-66-109)166(124-40-17-5-18-41-124)152-156-146-98-118(74-94-148(146)172-152)115-32-27-31-114(95-115)116-33-28-48-136(96-116)170-160-140-92-88-135(102-144(140)162-170)164(122-36-13-3-14-37-122)128-77-61-107(62-78-128)105-53-51-104(52-54-105)106-59-75-127(76-60-106)163(121-34-11-2-12-35-121)134-87-91-139-143(101-134)161-169(159-139)133-46-23-8-24-47-133/h1-102H.
What are the key properties of N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine?
N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 2272.75 g/mol, XLogP of 42.15, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-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]-N-[4-[4-(N-[5-[3-[3-[5-(N-[4-[4-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]anilino)benzotriazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-2-yl]anilino)phenyl]phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 146650563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).