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

C60H41NO — CID 174307165

IUPAC9-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
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cc21
InChIInChI=1S/C60H41NO/c1-60(47-18-6-3-7-19-47)55-23-10-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-30-43(31-33-48)42-28-26-41(27-29-42)40-14-4-2-5-15-40)49-20-12-16-44(37-49)46-36-45-17-13-25-58-59(45)54(38-46)53-22-9-11-24-57(53)62-58/h2-39H,1H3
InChIKeyQCUDCGSZHHWOBF-UHFFFAOYSA-N
MW791.99 g/mol
LogP16.42
Rot. Bonds7

About 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

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 (PubChem CID 174307165) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID174307165
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC Name9-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
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cc21
InChIInChI=1S/C60H41NO/c1-60(47-18-6-3-7-19-47)55-23-10-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-30-43(31-33-48)42-28-26-41(27-29-42)40-14-4-2-5-15-40)49-20-12-16-44(37-49)46-36-45-17-13-25-58-59(45)54(38-46)53-22-9-11-24-57(53)62-58/h2-39H,1H3
InChIKeyQCUDCGSZHHWOBF-UHFFFAOYSA-N
XLogP16.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.99
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-phenylphenyl)fluoren-4-amine
CID 174307624
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
CID 174303968
N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)-N-phenylaniline
CID 174304052
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 174307923
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
9-methyl-7-naphthalen-2-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118500390
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
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-(9,9-dimethylfluoren-2-yl)-9-methyl-7-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118188570
N-[4-(3,4-diphenylphenyl)phenyl]-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]-2-(8-phenylnaphthalen-1-yl)aniline
CID 174303883
15-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 170021977

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)cc21.
What is the InChIKey of 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?
The InChIKey is QCUDCGSZHHWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-60(47-18-6-3-7-19-47)55-23-10-8-21-51(55)52-35-34-50(39-56(52)60)61(48-32-30-43(31-33-48)42-28-26-41(27-29-42)40-14-4-2-5-15-40)49-20-12-16-44(37-49)46-36-45-17-13-25-58-59(45)54(38-46)53-22-9-11-24-57(53)62-58/h2-39H,1H3.
What are the key properties of 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?
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 has a molecular weight of 791.99 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174307165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).