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

C117H92N6 — CID 158675579

IUPAC1-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
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34N2.C38H32N2.C31H26N2/c1-49(46-30-31-47(41-24-9-8-23-40(41)46)50(33-16-4-2-5-17-33)34-18-6-3-7-19-34)35-28-29-39-38-22-12-15-27-44(38)48(45(39)32-35)42-25-13-10-20-36(42)37-21-11-14-26-43(37)48;1-38(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;1-32(27-11-5-2-6-12-27)28-21-17-25(18-22-28)26-19-23-31(24-20-26)33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-32H,1H3;4-26H,1-3H3;2-24H,1H3
InChIKeyIELZVFQKPAKTHG-UHFFFAOYSA-N
MW1582.06 g/mol
LogP31.40
Rot. Bonds16

About 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

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 (PubChem CID 158675579) has the molecular formula C117H92N6 and a molecular weight of 1582.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158675579
Molecular FormulaC117H92N6
Molecular Weight1582.06 g/mol
Exact Mass1580.74
IUPAC Name1-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
SMILESCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34N2.C38H32N2.C31H26N2/c1-49(46-30-31-47(41-24-9-8-23-40(41)46)50(33-16-4-2-5-17-33)34-18-6-3-7-19-34)35-28-29-39-38-22-12-15-27-44(38)48(45(39)32-35)42-25-13-10-20-36(42)37-21-11-14-26-43(37)48;1-38(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;1-32(27-11-5-2-6-12-27)28-21-17-25(18-22-28)26-19-23-31(24-20-26)33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-32H,1H3;4-26H,1-3H3;2-24H,1H3
InChIKeyIELZVFQKPAKTHG-UHFFFAOYSA-N
XLogP31.40
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.06
LogP ≤ 531.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
CID 58903670
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
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
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-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IELZVFQKPAKTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2.C38H32N2.C31H26N2/c1-49(46-30-31-47(41-24-9-8-23-40(41)46)50(33-16-4-2-5-17-33)34-18-6-3-7-19-34)35-28-29-39-38-22-12-15-27-44(38)48(45(39)32-35)42-25-13-10-20-36(42)37-21-11-14-26-43(37)48;1-38(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;1-32(27-11-5-2-6-12-27)28-21-17-25(18-22-28)26-19-23-31(24-20-26)33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-32H,1H3;4-26H,1-3H3;2-24H,1H3.
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-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?
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 has a molecular weight of 1582.06 g/mol, XLogP of 31.40, 16 rotatable bonds, 0 hydrogen bond donors, and 6 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;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 is sourced from PubChem (CID 158675579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).