N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine

C65H49N — CID 170218403

IUPACN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C65H49N/c1-64(2)60-26-12-10-23-57(60)59-25-15-24-55(63(59)64)50-18-14-21-53(42-50)66(54-40-41-58-56-22-11-13-27-61(56)65(3,62(58)43-54)51-19-8-5-9-20-51)52-38-36-49(37-39-52)48-34-32-47(33-35-48)46-30-28-45(29-31-46)44-16-6-4-7-17-44/h4-43H,1-3H3
InChIKeyIIQXXEIDXLRTCD-UHFFFAOYSA-N
MW844.11 g/mol
LogP17.47
Rot. Bonds8

About N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 170218403) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID170218403
Molecular FormulaC65H49N
Molecular Weight844.11 g/mol
Exact Mass843.39
IUPAC NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c3)c21
InChIInChI=1S/C65H49N/c1-64(2)60-26-12-10-23-57(60)59-25-15-24-55(63(59)64)50-18-14-21-53(42-50)66(54-40-41-58-56-22-11-13-27-61(56)65(3,62(58)43-54)51-19-8-5-9-20-51)52-38-36-49(37-39-52)48-34-32-47(33-35-48)46-30-28-45(29-31-46)44-16-6-4-7-17-44/h4-43H,1-3H3
InChIKeyIIQXXEIDXLRTCD-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.11
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-1-amine
CID 170216276
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 170217616
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216343
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 170218403) is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c3)c21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is IIQXXEIDXLRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N/c1-64(2)60-26-12-10-23-57(60)59-25-15-24-55(63(59)64)50-18-14-21-53(42-50)66(54-40-41-58-56-22-11-13-27-61(56)65(3,62(58)43-54)51-19-8-5-9-20-51)52-38-36-49(37-39-52)48-34-32-47(33-35-48)46-30-28-45(29-31-46)44-16-6-4-7-17-44/h4-43H,1-3H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 844.11 g/mol, XLogP of 17.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170218403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).