N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine

C54H39N — CID 164929497

IUPACN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4ccccc34)cc3ccccc3c21
InChIInChI=1S/C54H39N/c1-53(2)44-30-15-13-28-42(44)51-49(35-37-20-10-12-27-41(37)52(51)53)55(47-33-17-21-36-19-9-11-26-40(36)47)48-34-18-32-46-50(48)43-29-14-16-31-45(43)54(46,38-22-5-3-6-23-38)39-24-7-4-8-25-39/h3-35H,1-2H3
InChIKeyJWSJNONJGDWIOW-UHFFFAOYSA-N
MW701.91 g/mol
LogP14.13
Rot. Bonds5

About N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine

N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine (PubChem CID 164929497) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine
PubChem CID164929497
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4ccccc34)cc3ccccc3c21
InChIInChI=1S/C54H39N/c1-53(2)44-30-15-13-28-42(44)51-49(35-37-20-10-12-27-41(37)52(51)53)55(47-33-17-21-36-19-9-11-26-40(36)47)48-34-18-32-46-50(48)43-29-14-16-31-45(43)54(46,38-22-5-3-6-23-38)39-24-7-4-8-25-39/h3-35H,1-2H3
InChIKeyJWSJNONJGDWIOW-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929573
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N,9,9-triphenylfluoren-4-amine
CID 170412534
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
CID 164929478
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929284
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 158455101
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167324312

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine (CID 164929497) is N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4ccccc34)cc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine?
The InChIKey is JWSJNONJGDWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-53(2)44-30-15-13-28-42(44)51-49(35-37-20-10-12-27-41(37)52(51)53)55(47-33-17-21-36-19-9-11-26-40(36)47)48-34-18-32-46-50(48)43-29-14-16-31-45(43)54(46,38-22-5-3-6-23-38)39-24-7-4-8-25-39/h3-35H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine?
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine has a molecular weight of 701.91 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).