N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine

C182H118N12O4S2 — CID 146650085

IUPACN-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4nc5c(-c6ccc7oc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11ccc(-c%12nc%13ccccc%13o%12)cc%11)c%11cccc%12ccccc%11%12)cc%10)cc9)c9cccc%10ccccc9%10)cc8)nc7c6)cccc5o4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6nc7c(-c8ccc9sc(-c%10ccc(N(c%11ccccc%11)c%11ccc(-c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)nc9c8)cccc7o6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C182H118N12O4S2/c1-5-29-143(30-6-1)189(147-95-69-127(70-96-147)123-57-61-135(62-58-123)179-187-175-161(39-23-46-171(175)197-179)141-89-115-170-165(117-141)184-178(196-170)138-83-109-158(110-84-138)194(168-44-22-28-134-26-14-16-38-160(134)168)156-105-79-132(80-106-156)131-77-103-155(104-78-131)193(167-43-21-27-133-25-13-15-37-159(133)167)157-107-81-137(82-108-157)177-183-163-41-17-19-45-169(163)195-177)149-99-73-129(74-100-149)130-75-101-150(102-76-130)190(144-31-7-2-8-32-144)148-97-71-128(72-98-148)124-59-63-136(64-60-124)180-188-176-162(40-24-47-172(176)198-180)142-90-116-174-166(118-142)186-182(200-174)140-87-113-154(114-88-140)192(146-35-11-4-12-36-146)152-93-67-126(68-94-152)122-55-51-120(52-56-122)119-49-53-121(54-50-119)125-65-91-151(92-66-125)191(145-33-9-3-10-34-145)153-111-85-139(86-112-153)181-185-164-42-18-20-48-173(164)199-181/h1-118H
InChIKeyWBAGSZMEOUNAFC-UHFFFAOYSA-N
MW2601.16 g/mol
LogP51.60
Rot. Bonds33

About N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine

N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine (PubChem CID 146650085) has the molecular formula C182H118N12O4S2 and a molecular weight of 2601.16 g/mol. Its IUPAC name is N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine
PubChem CID146650085
Molecular FormulaC182H118N12O4S2
Molecular Weight2601.16 g/mol
Exact Mass2598.88
IUPAC NameN-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4nc5c(-c6ccc7oc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11ccc(-c%12nc%13ccccc%13o%12)cc%11)c%11cccc%12ccccc%11%12)cc%10)cc9)c9cccc%10ccccc9%10)cc8)nc7c6)cccc5o4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6nc7c(-c8ccc9sc(-c%10ccc(N(c%11ccccc%11)c%11ccc(-c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)nc9c8)cccc7o6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C182H118N12O4S2/c1-5-29-143(30-6-1)189(147-95-69-127(70-96-147)123-57-61-135(62-58-123)179-187-175-161(39-23-46-171(175)197-179)141-89-115-170-165(117-141)184-178(196-170)138-83-109-158(110-84-138)194(168-44-22-28-134-26-14-16-38-160(134)168)156-105-79-132(80-106-156)131-77-103-155(104-78-131)193(167-43-21-27-133-25-13-15-37-159(133)167)157-107-81-137(82-108-157)177-183-163-41-17-19-45-169(163)195-177)149-99-73-129(74-100-149)130-75-101-150(102-76-130)190(144-31-7-2-8-32-144)148-97-71-128(72-98-148)124-59-63-136(64-60-124)180-188-176-162(40-24-47-172(176)198-180)142-90-116-174-166(118-142)186-182(200-174)140-87-113-154(114-88-140)192(146-35-11-4-12-36-146)152-93-67-126(68-94-152)122-55-51-120(52-56-122)119-49-53-121(54-50-119)125-65-91-151(92-66-125)191(145-33-9-3-10-34-145)153-111-85-139(86-112-153)181-185-164-42-18-20-48-173(164)199-181/h1-118H
InChIKeyWBAGSZMEOUNAFC-UHFFFAOYSA-N
XLogP51.60
TPSA149.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002601.16
LogP ≤ 551.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine (CID 146650085) is N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4nc5c(-c6ccc7oc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11ccc(-c%12nc%13ccccc%13o%12)cc%11)c%11cccc%12ccccc%11%12)cc%10)cc9)c9cccc%10ccccc9%10)cc8)nc7c6)cccc5o4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6nc7c(-c8ccc9sc(-c%10ccc(N(c%11ccccc%11)c%11ccc(-c%12ccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17s%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)nc9c8)cccc7o6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is WBAGSZMEOUNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C182H118N12O4S2/c1-5-29-143(30-6-1)189(147-95-69-127(70-96-147)123-57-61-135(62-58-123)179-187-175-161(39-23-46-171(175)197-179)141-89-115-170-165(117-141)184-178(196-170)138-83-109-158(110-84-138)194(168-44-22-28-134-26-14-16-38-160(134)168)156-105-79-132(80-106-156)131-77-103-155(104-78-131)193(167-43-21-27-133-25-13-15-37-159(133)167)157-107-81-137(82-108-157)177-183-163-41-17-19-45-169(163)195-177)149-99-73-129(74-100-149)130-75-101-150(102-76-130)190(144-31-7-2-8-32-144)148-97-71-128(72-98-148)124-59-63-136(64-60-124)180-188-176-162(40-24-47-172(176)198-180)142-90-116-174-166(118-142)186-182(200-174)140-87-113-154(114-88-140)192(146-35-11-4-12-36-146)152-93-67-126(68-94-152)122-55-51-120(52-56-122)119-49-53-121(54-50-119)125-65-91-151(92-66-125)191(145-33-9-3-10-34-145)153-111-85-139(86-112-153)181-185-164-42-18-20-48-173(164)199-181/h1-118H.
What are the key properties of N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine?
N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 2601.16 g/mol, XLogP of 51.60, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[5-[2-[4-[4-(N-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]-1,3-benzothiazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1,3-benzoxazol-4-yl]-1,3-benzoxazol-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 146650085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).