N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

C72H63N — CID 170303583

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4C4=c5c(-c6ccccc6)cccc5=CCC4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C72H63N/c1-70(2,3)53-44-51(45-54(46-53)71(4,5)6)57-36-21-27-50-29-23-38-63(69(50)57)61-34-16-19-41-67(61)73(55-42-43-59-58-32-14-17-39-64(58)72(7,65(59)47-55)52-30-12-9-13-31-52)66-40-18-15-33-60(66)62-37-22-28-49-26-20-35-56(68(49)62)48-24-10-8-11-25-48/h8-21,23-36,38-47H,22,37H2,1-7H3
InChIKeyQESXEYZPYNVOJZ-UHFFFAOYSA-N
MW942.30 g/mol
LogP18.01
Rot. Bonds8

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170303583) has the molecular formula C72H63N and a molecular weight of 942.30 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170303583
Molecular FormulaC72H63N
Molecular Weight942.30 g/mol
Exact Mass941.50
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4C4=c5c(-c6ccccc6)cccc5=CCC4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C72H63N/c1-70(2,3)53-44-51(45-54(46-53)71(4,5)6)57-36-21-27-50-29-23-38-63(69(50)57)61-34-16-19-41-67(61)73(55-42-43-59-58-32-14-17-39-64(58)72(7,65(59)47-55)52-30-12-9-13-31-52)66-40-18-15-33-60(66)62-37-22-28-49-26-20-35-56(68(49)62)48-24-10-8-11-25-48/h8-21,23-36,38-47H,22,37H2,1-7H3
InChIKeyQESXEYZPYNVOJZ-UHFFFAOYSA-N
XLogP18.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.30
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303578
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170303967
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303978
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-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine
CID 170303969
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303557
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170303583) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4C4=c5c(-c6ccccc6)cccc5=CCC4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is QESXEYZPYNVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H63N/c1-70(2,3)53-44-51(45-54(46-53)71(4,5)6)57-36-21-27-50-29-23-38-63(69(50)57)61-34-16-19-41-67(61)73(55-42-43-59-58-32-14-17-39-64(58)72(7,65(59)47-55)52-30-12-9-13-31-52)66-40-18-15-33-60(66)62-37-22-28-49-26-20-35-56(68(49)62)48-24-10-8-11-25-48/h8-21,23-36,38-47H,22,37H2,1-7H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 942.30 g/mol, XLogP of 18.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenyl-2,3-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170303583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).