N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine

C29H27NO2 — CID 20734434

IUPACN,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H27NO2/c1-29(2)27-8-6-5-7-25(27)26-18-13-22(19-28(26)29)30(20-9-14-23(31-3)15-10-20)21-11-16-24(32-4)17-12-21/h5-19H,1-4H3
InChIKeyZTFCMVAPUSYAAR-UHFFFAOYSA-N
MW421.54 g/mol
LogP7.48
Rot. Bonds5

About N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine

N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 20734434) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID20734434
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC NameN,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H27NO2/c1-29(2)27-8-6-5-7-25(27)26-18-13-22(19-28(26)29)30(20-9-14-23(31-3)15-10-20)21-11-16-24(32-4)17-12-21/h5-19H,1-4H3
InChIKeyZTFCMVAPUSYAAR-UHFFFAOYSA-N
XLogP7.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 123541710
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
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)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenoxy]boronic acid
CID 142737900
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine (CID 20734434) is N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is ZTFCMVAPUSYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-29(2)27-8-6-5-7-25(27)26-18-13-22(19-28(26)29)30(20-9-14-23(31-3)15-10-20)21-11-16-24(32-4)17-12-21/h5-19H,1-4H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine?
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 421.54 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 20734434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).