N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine

C142H88N2O2S2 — CID 138477200

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)-c%10ccccc%10C%11%10c%11ccccc%11Sc%11ccccc%11%10)c%10ccc%11c(c%10)C%10(c%12ccccc%12Oc%12ccccc%12%10)c%10ccccc%10-%11)cc9)c8)c7)ccc64)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C142H88N2O2S2/c1-3-31-89(32-4-1)98-81-99(90-33-5-2-6-34-90)83-100(82-98)92-63-68-102(69-64-92)144(104-73-78-120-114(86-104)110-42-10-14-46-118(110)140(120)127-52-20-27-59-137(127)148-138-60-28-21-53-128(138)140)106-71-75-112-108-40-8-12-44-116(108)142(130(112)88-106)123-49-17-24-56-133(123)146-134-84-97(65-76-124(134)142)96-38-30-37-95(80-96)94-36-29-35-93(79-94)91-61-66-101(67-62-91)143(103-72-77-119-113(85-103)109-41-9-13-45-117(109)139(119)125-50-18-25-57-135(125)147-136-58-26-19-51-126(136)139)105-70-74-111-107-39-7-11-43-115(107)141(129(111)87-105)121-47-15-22-54-131(121)145-132-55-23-16-48-122(132)141/h1-88H
InChIKeyNAFIFCYUTLLXNP-UHFFFAOYSA-N
MW1918.41 g/mol
LogP37.22
Rot. Bonds12

About N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine

N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477200) has the molecular formula C142H88N2O2S2 and a molecular weight of 1918.41 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138477200
Molecular FormulaC142H88N2O2S2
Molecular Weight1918.41 g/mol
Exact Mass1916.63
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)-c%10ccccc%10C%11%10c%11ccccc%11Sc%11ccccc%11%10)c%10ccc%11c(c%10)C%10(c%12ccccc%12Oc%12ccccc%12%10)c%10ccccc%10-%11)cc9)c8)c7)ccc64)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C142H88N2O2S2/c1-3-31-89(32-4-1)98-81-99(90-33-5-2-6-34-90)83-100(82-98)92-63-68-102(69-64-92)144(104-73-78-120-114(86-104)110-42-10-14-46-118(110)140(120)127-52-20-27-59-137(127)148-138-60-28-21-53-128(138)140)106-71-75-112-108-40-8-12-44-116(108)142(130(112)88-106)123-49-17-24-56-133(123)146-134-84-97(65-76-124(134)142)96-38-30-37-95(80-96)94-36-29-35-93(79-94)91-61-66-101(67-62-91)143(103-72-77-119-113(85-103)109-41-9-13-45-117(109)139(119)125-50-18-25-57-135(125)147-136-58-26-19-51-126(136)139)105-70-74-111-107-39-7-11-43-115(107)141(129(111)87-105)121-47-15-22-54-131(121)145-132-55-23-16-48-122(132)141/h1-88H
InChIKeyNAFIFCYUTLLXNP-UHFFFAOYSA-N
XLogP37.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.41
LogP ≤ 537.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-7-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477388
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025
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-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477200) is N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7cccc(-c8cccc(-c9ccc(N(c%10ccc%11c(c%10)-c%10ccccc%10C%11%10c%11ccccc%11Sc%11ccccc%11%10)c%10ccc%11c(c%10)C%10(c%12ccccc%12Oc%12ccccc%12%10)c%10ccccc%10-%11)cc9)c8)c7)ccc64)c4ccccc4-5)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is NAFIFCYUTLLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H88N2O2S2/c1-3-31-89(32-4-1)98-81-99(90-33-5-2-6-34-90)83-100(82-98)92-63-68-102(69-64-92)144(104-73-78-120-114(86-104)110-42-10-14-46-118(110)140(120)127-52-20-27-59-137(127)148-138-60-28-21-53-128(138)140)106-71-75-112-108-40-8-12-44-116(108)142(130(112)88-106)123-49-17-24-56-133(123)146-134-84-97(65-76-124(134)142)96-38-30-37-95(80-96)94-36-29-35-93(79-94)91-61-66-101(67-62-91)143(103-72-77-119-113(85-103)109-41-9-13-45-117(109)139(119)125-50-18-25-57-135(125)147-136-58-26-19-51-126(136)139)105-70-74-111-107-39-7-11-43-115(107)141(129(111)87-105)121-47-15-22-54-131(121)145-132-55-23-16-48-122(132)141/h1-88H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1918.41 g/mol, XLogP of 37.22, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).