N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine

C192H117N3S6 — CID 138475972

IUPACN-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc(-c5cccc6c5Sc5ccccc5C65c6ccccc6-c6c(N(c7cccc(-c8ccccc8)c7)c7ccc8c(c7)C7(c9ccccc9Sc9ccccc97)c7cc(-c9cccc(-c%10ccc(-c%11ccc(N(c%12ccc%13c(c%12)C%12(c%14ccccc%14Sc%14ccccc%14%12)c%12ccccc%12-%13)c%12cccc%13c%12-c%12ccccc%12C%13%12c%13ccccc%13Sc%13ccccc%13%12)cc%11)cc%10)c9)ccc7-8)cccc65)cc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C192H117N3S6/c1-3-43-118(44-4-1)121-93-99-129(100-94-121)194(170-76-41-72-162-184(170)142-53-9-13-58-147(142)188(162)152-62-17-28-80-174(152)197-175-81-29-18-63-153(175)188)133-105-109-140-144-113-128(98-110-149(144)190(168(140)116-133)156-66-21-32-84-178(156)199-179-85-33-22-67-157(179)190)135-55-39-74-164-186(135)201-182-88-36-25-70-160(182)191(164)148-59-14-10-54-143(148)185-163(191)73-42-77-171(185)195(131-50-38-49-126(112-131)119-45-5-2-6-46-119)134-104-108-139-137-106-97-127(114-165(137)192(167(139)117-134)158-68-23-34-86-180(158)200-181-87-35-24-69-159(181)192)125-48-37-47-124(111-125)123-91-89-120(90-92-123)122-95-101-130(102-96-122)193(132-103-107-138-136-51-7-11-56-145(136)189(166(138)115-132)154-64-19-30-82-176(154)198-177-83-31-20-65-155(177)189)169-75-40-71-161-183(169)141-52-8-12-57-146(141)187(161)150-60-15-26-78-172(150)196-173-79-27-16-61-151(173)187/h1-117H
InChIKeyALCMCEJQYAWTOS-UHFFFAOYSA-N
MW2658.47 g/mol
LogP51.06
Rot. Bonds15

About N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine

N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine (PubChem CID 138475972) has the molecular formula C192H117N3S6 and a molecular weight of 2658.47 g/mol. Its IUPAC name is N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
PubChem CID138475972
Molecular FormulaC192H117N3S6
Molecular Weight2658.47 g/mol
Exact Mass2655.76
IUPAC NameN-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc(-c5cccc6c5Sc5ccccc5C65c6ccccc6-c6c(N(c7cccc(-c8ccccc8)c7)c7ccc8c(c7)C7(c9ccccc9Sc9ccccc97)c7cc(-c9cccc(-c%10ccc(-c%11ccc(N(c%12ccc%13c(c%12)C%12(c%14ccccc%14Sc%14ccccc%14%12)c%12ccccc%12-%13)c%12cccc%13c%12-c%12ccccc%12C%13%12c%13ccccc%13Sc%13ccccc%13%12)cc%11)cc%10)c9)ccc7-8)cccc65)cc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C192H117N3S6/c1-3-43-118(44-4-1)121-93-99-129(100-94-121)194(170-76-41-72-162-184(170)142-53-9-13-58-147(142)188(162)152-62-17-28-80-174(152)197-175-81-29-18-63-153(175)188)133-105-109-140-144-113-128(98-110-149(144)190(168(140)116-133)156-66-21-32-84-178(156)199-179-85-33-22-67-157(179)190)135-55-39-74-164-186(135)201-182-88-36-25-70-160(182)191(164)148-59-14-10-54-143(148)185-163(191)73-42-77-171(185)195(131-50-38-49-126(112-131)119-45-5-2-6-46-119)134-104-108-139-137-106-97-127(114-165(137)192(167(139)117-134)158-68-23-34-86-180(158)200-181-87-35-24-69-159(181)192)125-48-37-47-124(111-125)123-91-89-120(90-92-123)122-95-101-130(102-96-122)193(132-103-107-138-136-51-7-11-56-145(136)189(166(138)115-132)154-64-19-30-82-176(154)198-177-83-31-20-65-155(177)189)169-75-40-71-161-183(169)141-52-8-12-57-146(141)187(161)150-60-15-26-78-172(150)196-173-79-27-16-61-151(173)187/h1-117H
InChIKeyALCMCEJQYAWTOS-UHFFFAOYSA-N
XLogP51.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002658.47
LogP ≤ 551.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-3'-[4-[3-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylanilino]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476640
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 158194308
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The IUPAC name of N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine (CID 138475972) is N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine.
What is the SMILES notation for N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The canonical SMILES for N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc(-c5cccc6c5Sc5ccccc5C65c6ccccc6-c6c(N(c7cccc(-c8ccccc8)c7)c7ccc8c(c7)C7(c9ccccc9Sc9ccccc97)c7cc(-c9cccc(-c%10ccc(-c%11ccc(N(c%12ccc%13c(c%12)C%12(c%14ccccc%14Sc%14ccccc%14%12)c%12ccccc%12-%13)c%12cccc%13c%12-c%12ccccc%12C%13%12c%13ccccc%13Sc%13ccccc%13%12)cc%11)cc%10)c9)ccc7-8)cccc65)cc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
The InChIKey is ALCMCEJQYAWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C192H117N3S6/c1-3-43-118(44-4-1)121-93-99-129(100-94-121)194(170-76-41-72-162-184(170)142-53-9-13-58-147(142)188(162)152-62-17-28-80-174(152)197-175-81-29-18-63-153(175)188)133-105-109-140-144-113-128(98-110-149(144)190(168(140)116-133)156-66-21-32-84-178(156)199-179-85-33-22-67-157(179)190)135-55-39-74-164-186(135)201-182-88-36-25-70-160(182)191(164)148-59-14-10-54-143(148)185-163(191)73-42-77-171(185)195(131-50-38-49-126(112-131)119-45-5-2-6-46-119)134-104-108-139-137-106-97-127(114-165(137)192(167(139)117-134)158-68-23-34-86-180(158)200-181-87-35-24-69-159(181)192)125-48-37-47-124(111-125)123-91-89-120(90-92-123)122-95-101-130(102-96-122)193(132-103-107-138-136-51-7-11-56-145(136)189(166(138)115-132)154-64-19-30-82-176(154)198-177-83-31-20-65-155(177)189)169-75-40-71-161-183(169)141-52-8-12-57-146(141)187(161)150-60-15-26-78-172(150)196-173-79-27-16-61-151(173)187/h1-117H.
What are the key properties of N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine?
N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine has a molecular weight of 2658.47 g/mol, XLogP of 51.06, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine is sourced from PubChem (CID 138475972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).