9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine

C91H60N2S2 — CID 146294960

IUPAC9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c4ccc4c6cc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10cccc%11c%10ccc%10c%12ccccc%12sc%11%10)c%10ccccc9%10)cc8)cc7)ccc6sc54)c4ccccc4c3)cc21
InChIInChI=1S/C91H60N2S2/c1-91(2)84-33-15-13-26-74(84)75-45-44-65(56-85(75)91)92(62-20-5-3-6-21-62)66-53-61-19-9-10-24-67(61)82(55-66)70-30-18-32-79-73(70)47-49-81-83-54-60(41-52-88(83)95-90(79)81)59-37-35-57(36-38-59)58-39-42-64(43-40-58)93(63-22-7-4-8-23-63)86-51-50-71(69-25-11-12-27-76(69)86)68-29-17-31-78-72(68)46-48-80-77-28-14-16-34-87(77)94-89(78)80/h3-56H,1-2H3
InChIKeyICYHAXBTKGGXMU-UHFFFAOYSA-N
MW1245.63 g/mol
LogP26.95
Rot. Bonds10

About 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine (PubChem CID 146294960) has the molecular formula C91H60N2S2 and a molecular weight of 1245.63 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine
PubChem CID146294960
Molecular FormulaC91H60N2S2
Molecular Weight1245.63 g/mol
Exact Mass1244.42
IUPAC Name9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c4ccc4c6cc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10cccc%11c%10ccc%10c%12ccccc%12sc%11%10)c%10ccccc9%10)cc8)cc7)ccc6sc54)c4ccccc4c3)cc21
InChIInChI=1S/C91H60N2S2/c1-91(2)84-33-15-13-26-74(84)75-45-44-65(56-85(75)91)92(62-20-5-3-6-21-62)66-53-61-19-9-10-24-67(61)82(55-66)70-30-18-32-79-73(70)47-49-81-83-54-60(41-52-88(83)95-90(79)81)59-37-35-57(36-38-59)58-39-42-64(43-40-58)93(63-22-7-4-8-23-63)86-51-50-71(69-25-11-12-27-76(69)86)68-29-17-31-78-72(68)46-48-80-77-28-14-16-34-87(77)94-89(78)80/h3-56H,1-2H3
InChIKeyICYHAXBTKGGXMU-UHFFFAOYSA-N
XLogP26.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.63
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine with MolForge

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-3-N-(3,5-diphenylphenyl)-5-[3-(3-naphtho[1,2-b][1]benzothiol-8-ylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122634341
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenyldibenzothiophen-4-yl)phenyl]phenanthren-9-amine
CID 134464857
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-[22-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl]phenyl]fluoren-2-amine
CID 126621573
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 159505056
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine (CID 146294960) is 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cccc5c4ccc4c6cc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10cccc%11c%10ccc%10c%12ccccc%12sc%11%10)c%10ccccc9%10)cc8)cc7)ccc6sc54)c4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine?
The InChIKey is ICYHAXBTKGGXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H60N2S2/c1-91(2)84-33-15-13-26-74(84)75-45-44-65(56-85(75)91)92(62-20-5-3-6-21-62)66-53-61-19-9-10-24-67(61)82(55-66)70-30-18-32-79-73(70)47-49-81-83-54-60(41-52-88(83)95-90(79)81)59-37-35-57(36-38-59)58-39-42-64(43-40-58)93(63-22-7-4-8-23-63)86-51-50-71(69-25-11-12-27-76(69)86)68-29-17-31-78-72(68)46-48-80-77-28-14-16-34-87(77)94-89(78)80/h3-56H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine has a molecular weight of 1245.63 g/mol, XLogP of 26.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 146294960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).