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

C162H100N2S4 — CID 138476640

IUPACN-[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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6cc(-c7ccc8c(c7)Sc7ccccc7C87c8ccccc8-c8c(N(c9cccc(-c%10ccc%11c(c%10)C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10-%11)c9)c9ccc%10c(c9)-c9ccccc9C%109c%10ccccc%10Sc%10ccccc%109)cccc87)ccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C162H100N2S4/c1-5-41-107(42-6-1)157(108-43-7-2-8-44-108)125-56-19-13-50-115(125)119-88-80-103(95-143(119)157)101-78-84-111(85-79-101)163(145-70-38-68-141-155(145)121-54-17-23-60-129(121)161(141)136-65-28-33-74-149(136)166-150-75-34-29-66-137(150)161)113-86-92-132-123(99-113)118-53-16-22-59-128(118)160(132)135-64-27-35-76-151(135)167-153-97-105(82-90-139(153)160)106-83-91-140-154(98-106)168-152-77-36-30-67-138(152)162(140)130-61-24-18-55-122(130)156-142(162)69-39-71-146(156)164(114-87-93-131-124(100-114)117-52-15-21-58-127(117)159(131)133-62-25-31-72-147(133)165-148-73-32-26-63-134(148)159)112-49-37-40-102(94-112)104-81-89-120-116-51-14-20-57-126(116)158(144(120)96-104,109-45-9-3-10-46-109)110-47-11-4-12-48-110/h1-100H
InChIKeyPVNMWYHJRVFPHM-UHFFFAOYSA-N
MW2202.86 g/mol
LogP41.66
Rot. Bonds13

About 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

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 (PubChem CID 138476640) has the molecular formula C162H100N2S4 and a molecular weight of 2202.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID138476640
Molecular FormulaC162H100N2S4
Molecular Weight2202.86 g/mol
Exact Mass2200.68
IUPAC NameN-[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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6cc(-c7ccc8c(c7)Sc7ccccc7C87c8ccccc8-c8c(N(c9cccc(-c%10ccc%11c(c%10)C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10-%11)c9)c9ccc%10c(c9)-c9ccccc9C%109c%10ccccc%10Sc%10ccccc%109)cccc87)ccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C162H100N2S4/c1-5-41-107(42-6-1)157(108-43-7-2-8-44-108)125-56-19-13-50-115(125)119-88-80-103(95-143(119)157)101-78-84-111(85-79-101)163(145-70-38-68-141-155(145)121-54-17-23-60-129(121)161(141)136-65-28-33-74-149(136)166-150-75-34-29-66-137(150)161)113-86-92-132-123(99-113)118-53-16-22-59-128(118)160(132)135-64-27-35-76-151(135)167-153-97-105(82-90-139(153)160)106-83-91-140-154(98-106)168-152-77-36-30-67-138(152)162(140)130-61-24-18-55-122(130)156-142(162)69-39-71-146(156)164(114-87-93-131-124(100-114)117-52-15-21-58-127(117)159(131)133-62-25-31-72-147(133)165-148-73-32-26-63-134(148)159)112-49-37-40-102(94-112)104-81-89-120-116-51-14-20-57-126(116)158(144(120)96-104,109-45-9-3-10-46-109)110-47-11-4-12-48-110/h1-100H
InChIKeyPVNMWYHJRVFPHM-UHFFFAOYSA-N
XLogP41.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002202.86
LogP ≤ 541.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 161377030
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
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 162115630
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160756851
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-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6cc(-c7ccc8c(c7)Sc7ccccc7C87c8ccccc8-c8c(N(c9cccc(-c%10ccc%11c(c%10)C(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10-%11)c9)c9ccc%10c(c9)-c9ccccc9C%109c%10ccccc%10Sc%10ccccc%109)cccc87)ccc65)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is PVNMWYHJRVFPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H100N2S4/c1-5-41-107(42-6-1)157(108-43-7-2-8-44-108)125-56-19-13-50-115(125)119-88-80-103(95-143(119)157)101-78-84-111(85-79-101)163(145-70-38-68-141-155(145)121-54-17-23-60-129(121)161(141)136-65-28-33-74-149(136)166-150-75-34-29-66-137(150)161)113-86-92-132-123(99-113)118-53-16-22-59-128(118)160(132)135-64-27-35-76-151(135)167-153-97-105(82-90-139(153)160)106-83-91-140-154(98-106)168-152-77-36-30-67-138(152)162(140)130-61-24-18-55-122(130)156-142(162)69-39-71-146(156)164(114-87-93-131-124(100-114)117-52-15-21-58-127(117)159(131)133-62-25-31-72-147(133)165-148-73-32-26-63-134(148)159)112-49-37-40-102(94-112)104-81-89-120-116-51-14-20-57-126(116)158(144(120)96-104,109-45-9-3-10-46-109)110-47-11-4-12-48-110/h1-100H.
What are the key properties of 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?
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 has a molecular weight of 2202.86 g/mol, XLogP of 41.66, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138476640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).