1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine

C38H32N2 — CID 58903670

IUPAC1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C38H32N2/c1-38(2)34-21-13-12-18-30(34)31-23-22-29(26-35(31)38)39(3)36-24-25-37(33-20-11-10-19-32(33)36)40(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-26H,1-3H3
InChIKeyJVDPYSUJKTZGRE-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.38
Rot. Bonds5

About 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine

1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine (PubChem CID 58903670) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
PubChem CID58903670
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C38H32N2/c1-38(2)34-21-13-12-18-30(34)31-23-22-29(26-35(31)38)39(3)36-24-25-37(33-20-11-10-19-32(33)36)40(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-26H,1-3H3
InChIKeyJVDPYSUJKTZGRE-UHFFFAOYSA-N
XLogP10.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 160681828
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 123886768
N,9,9-trimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine
CID 149403769
4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine
CID 177083937
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580

Frequently Asked Questions

What is the IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine?
The IUPAC name of 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine (CID 58903670) is 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine is CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine?
The InChIKey is JVDPYSUJKTZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-38(2)34-21-13-12-18-30(34)31-23-22-29(26-35(31)38)39(3)36-24-25-37(33-20-11-10-19-32(33)36)40(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-26H,1-3H3.
What are the key properties of 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine?
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine has a molecular weight of 516.69 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine is sourced from PubChem (CID 58903670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).