9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine

C61H46N2 — CID 59221599

IUPAC9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C61H46N2/c1-61(2)58-25-15-14-23-55(58)56-39-38-52(42-59(56)61)63(48-20-10-5-11-21-48)60-41-40-53(54-22-12-13-24-57(54)60)47-30-36-51(37-31-47)62(49-32-26-45(27-33-49)43-16-6-3-7-17-43)50-34-28-46(29-35-50)44-18-8-4-9-19-44/h3-42H,1-2H3
InChIKeyKMAUDJZNKNZGES-UHFFFAOYSA-N
MW807.05 g/mol
LogP17.09
Rot. Bonds9

About 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine (PubChem CID 59221599) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
PubChem CID59221599
Molecular FormulaC61H46N2
Molecular Weight807.05 g/mol
Exact Mass806.37
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C61H46N2/c1-61(2)58-25-15-14-23-55(58)56-39-38-52(42-59(56)61)63(48-20-10-5-11-21-48)60-41-40-53(54-22-12-13-24-57(54)60)47-30-36-51(37-31-47)62(49-32-26-45(27-33-49)43-16-6-3-7-17-43)50-34-28-46(29-35-50)44-18-8-4-9-19-44/h3-42H,1-2H3
InChIKeyKMAUDJZNKNZGES-UHFFFAOYSA-N
XLogP17.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.05
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine (CID 59221599) is 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The InChIKey is KMAUDJZNKNZGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2/c1-61(2)58-25-15-14-23-55(58)56-39-38-52(42-59(56)61)63(48-20-10-5-11-21-48)60-41-40-53(54-22-12-13-24-57(54)60)47-30-36-51(37-31-47)62(49-32-26-45(27-33-49)43-16-6-3-7-17-43)50-34-28-46(29-35-50)44-18-8-4-9-19-44/h3-42H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine has a molecular weight of 807.05 g/mol, XLogP of 17.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 59221599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).