9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine

C29H27N — CID 121321489

IUPAC9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(N)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C29H27N/c1-3-29(4-2)27-18-23(14-16-25(27)26-17-15-24(30)19-28(26)29)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-19H,3-4,30H2,1-2H3
InChIKeyOTOAEHGMKLRRHT-UHFFFAOYSA-N
MW389.54 g/mol
LogP7.69
Rot. Bonds4

About 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine

9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine (PubChem CID 121321489) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
PubChem CID121321489
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(N)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C29H27N/c1-3-29(4-2)27-18-23(14-16-25(27)26-17-15-24(30)19-28(26)29)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-19H,3-4,30H2,1-2H3
InChIKeyOTOAEHGMKLRRHT-UHFFFAOYSA-N
XLogP7.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine
CID 18368918
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
23,23-diethyl-20-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 123175409
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2-phenyl-9,9-dipropylfluorene
CID 154114384
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine (CID 121321489) is 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine is CCC1(CC)c2cc(N)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is OTOAEHGMKLRRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-3-29(4-2)27-18-23(14-16-25(27)26-17-15-24(30)19-28(26)29)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-19H,3-4,30H2,1-2H3.
What are the key properties of 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine?
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 389.54 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121321489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).