9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine

C56H41N — CID 140919922

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C56H41N/c1-55(2)51-34-30-41(56(40-18-5-3-6-19-40)53-26-13-11-23-47(53)48-24-12-14-27-54(48)56)36-49(51)50-37-44(33-35-52(50)55)57(42-20-7-4-8-21-42)43-31-28-39(29-32-43)46-25-15-17-38-16-9-10-22-45(38)46/h3-37H,1-2H3
InChIKeyVAUARHYQKLCVAD-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine (PubChem CID 140919922) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
PubChem CID140919922
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C56H41N/c1-55(2)51-34-30-41(56(40-18-5-3-6-19-40)53-26-13-11-23-47(53)48-24-12-14-27-54(48)56)36-49(51)50-37-44(33-35-52(50)55)57(42-20-7-4-8-21-42)43-31-28-39(29-32-43)46-25-15-17-38-16-9-10-22-45(38)46/h3-37H,1-2H3
InChIKeyVAUARHYQKLCVAD-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 161433581
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine
CID 167197300
N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
7,7-dimethyl-N-phenyl-N-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]benzo[c]fluoren-10-amine
CID 169293026
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
CID 139355267
3-N-(9,9-dimethylfluoren-3-yl)-1-N-(10,10-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052273

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine (CID 140919922) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine is CC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine?
The InChIKey is VAUARHYQKLCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)51-34-30-41(56(40-18-5-3-6-19-40)53-26-13-11-23-47(53)48-24-12-14-27-54(48)56)36-49(51)50-37-44(33-35-52(50)55)57(42-20-7-4-8-21-42)43-31-28-39(29-32-43)46-25-15-17-38-16-9-10-22-45(38)46/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine is sourced from PubChem (CID 140919922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).