9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine

C60H41NS — CID 174307170

IUPAC9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)c3)cc21
InChIInChI=1S/C60H41NS/c1-60(47-18-6-3-7-19-47)55-23-9-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-29-43(30-33-48)42-27-25-41(26-28-42)40-13-4-2-5-14-40)49-20-10-17-45(37-49)46-31-36-57-54(38-46)53-22-11-15-44-16-12-24-58(62-57)59(44)53/h2-39H,1H3
InChIKeyYQZHMUAMMUCOQR-UHFFFAOYSA-N
MW808.06 g/mol
LogP16.78
Rot. Bonds7

About 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine

9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine (PubChem CID 174307170) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine
PubChem CID174307170
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC Name9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)c3)cc21
InChIInChI=1S/C60H41NS/c1-60(47-18-6-3-7-19-47)55-23-9-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-29-43(30-33-48)42-27-25-41(26-28-42)40-13-4-2-5-14-40)49-20-10-17-45(37-49)46-31-36-57-54(38-46)53-22-11-15-44-16-12-24-58(62-57)59(44)53/h2-39H,1H3
InChIKeyYQZHMUAMMUCOQR-UHFFFAOYSA-N
XLogP16.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine
CID 118533002
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 174307165
4-(9-methyl-9-phenylfluoren-4-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015871
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
9-methyl-7-naphthalen-2-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118500390
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 171453283
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine (CID 174307170) is 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)c3)cc21.
What is the InChIKey of 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine?
The InChIKey is YQZHMUAMMUCOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-60(47-18-6-3-7-19-47)55-23-9-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-29-43(30-33-48)42-27-25-41(26-28-42)40-13-4-2-5-14-40)49-20-10-17-45(37-49)46-31-36-57-54(38-46)53-22-11-15-44-16-12-24-58(62-57)59(44)53/h2-39H,1H3.
What are the key properties of 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine?
9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine has a molecular weight of 808.06 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 174307170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).