N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C69H51N — CID 170137215

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C69H51N/c1-68(2)60-34-14-11-30-59(60)67-58(33-20-36-62(67)68)57-29-13-17-38-65(57)70(51-42-39-47(40-43-51)54-32-19-24-48-23-18-31-53(66(48)54)46-21-6-4-7-22-46)64-37-16-12-27-52(64)49-41-44-56-55-28-10-15-35-61(55)69(3,63(56)45-49)50-25-8-5-9-26-50/h4-45H,1-3H3
InChIKeyNVIYCSAGTKYIQT-UHFFFAOYSA-N
MW894.17 g/mol
LogP18.62
Rot. Bonds8

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170137215) has the molecular formula C69H51N and a molecular weight of 894.17 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170137215
Molecular FormulaC69H51N
Molecular Weight894.17 g/mol
Exact Mass893.40
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C69H51N/c1-68(2)60-34-14-11-30-59(60)67-58(33-20-36-62(67)68)57-29-13-17-38-65(57)70(51-42-39-47(40-43-51)54-32-19-24-48-23-18-31-53(66(48)54)46-21-6-4-7-22-46)64-37-16-12-27-52(64)49-41-44-56-55-28-10-15-35-61(55)69(3,63(56)45-49)50-25-8-5-9-26-50/h4-45H,1-3H3
InChIKeyNVIYCSAGTKYIQT-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.17
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 170136631
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 170143912
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170137215) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccccc3-c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is NVIYCSAGTKYIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51N/c1-68(2)60-34-14-11-30-59(60)67-58(33-20-36-62(67)68)57-29-13-17-38-65(57)70(51-42-39-47(40-43-51)54-32-19-24-48-23-18-31-53(66(48)54)46-21-6-4-7-22-46)64-37-16-12-27-52(64)49-41-44-56-55-28-10-15-35-61(55)69(3,63(56)45-49)50-25-8-5-9-26-50/h4-45H,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 894.17 g/mol, XLogP of 18.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170137215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).