7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine

C28H30N2Si — CID 150998873

IUPAC7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N)ccc2-c2c1cc(Nc1ccc([Si](C)(C)C)cc1)c1ccccc21
InChIInChI=1S/C28H30N2Si/c1-28(2)24-16-18(29)10-15-23(24)27-22-9-7-6-8-21(22)26(17-25(27)28)30-19-11-13-20(14-12-19)31(3,4)5/h6-17,30H,29H2,1-5H3
InChIKeyLTRLAGMTJRXMNP-UHFFFAOYSA-N
MW422.65 g/mol
LogP7.02
Rot. Bonds3

About 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine

7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 150998873) has the molecular formula C28H30N2Si and a molecular weight of 422.65 g/mol. Its IUPAC name is 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
PubChem CID150998873
Molecular FormulaC28H30N2Si
Molecular Weight422.65 g/mol
Exact Mass422.22
IUPAC Name7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC1(C)c2cc(N)ccc2-c2c1cc(Nc1ccc([Si](C)(C)C)cc1)c1ccccc21
InChIInChI=1S/C28H30N2Si/c1-28(2)24-16-18(29)10-15-23(24)27-22-9-7-6-8-21(22)26(17-25(27)28)30-19-11-13-20(14-12-19)31(3,4)5/h6-17,30H,29H2,1-5H3
InChIKeyLTRLAGMTJRXMNP-UHFFFAOYSA-N
XLogP7.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.65
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
9-bromophenanthrene;9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine
CID 161023443
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
CID 134401870
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 153447199
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine
CID 163489354

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine (CID 150998873) is 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N)ccc2-c2c1cc(Nc1ccc([Si](C)(C)C)cc1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is LTRLAGMTJRXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2Si/c1-28(2)24-16-18(29)10-15-23(24)27-22-9-7-6-8-21(22)26(17-25(27)28)30-19-11-13-20(14-12-19)31(3,4)5/h6-17,30H,29H2,1-5H3.
What are the key properties of 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine?
7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 422.65 g/mol, XLogP of 7.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 150998873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).