2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline

C42H38N2 — CID 70806657

IUPAC2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)C2=C(CCC=C2)C2=C1CC(c1ccc3ccc4ccc(-c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)nc4c3n1)C=C2
InChIInChI=1S/C42H38N2/c1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h7-8,11-23,28H,5-6,9-10,24H2,1-4H3
InChIKeyGJSWAAMMQHFIIA-UHFFFAOYSA-N
MW570.78 g/mol
LogP10.87
Rot. Bonds2

About 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline

2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline (PubChem CID 70806657) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline
PubChem CID70806657
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC Name2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)C2=C(CCC=C2)C2=C1CC(c1ccc3ccc4ccc(-c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)nc4c3n1)C=C2
InChIInChI=1S/C42H38N2/c1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h7-8,11-23,28H,5-6,9-10,24H2,1-4H3
InChIKeyGJSWAAMMQHFIIA-UHFFFAOYSA-N
XLogP10.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-10-methyl-6,6a,7,10,11,11a-hexahydro-5H-cyclohepta[h]quinoline
CID 123336442
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
7-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-3,4-dihydrofluorene
CID 70963066
CID 145229229
CID 145229229
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163588387
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 71016755
5-(4-benzo[b]carbazol-5-ylphenyl)-2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4,5-dihydro-1H-[1]benzothiolo[2,3-d][1,3]diazepine
CID 166945080
2-[6-[6-methylidene-5-(2-methylphenyl)-1,2,9,10-tetrahydrophenanthridin-9-yl]naphthalen-2-yl]benzo[h]quinoline
CID 129163110

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline (CID 70806657) is 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline is CC1(C)C2=C(CCC=C2)C2=C1CC(c1ccc3ccc4ccc(-c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)nc4c3n1)C=C2.
What is the InChIKey of 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline?
The InChIKey is GJSWAAMMQHFIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2/c1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28/h7-8,11-23,28H,5-6,9-10,24H2,1-4H3.
What are the key properties of 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline?
2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline has a molecular weight of 570.78 g/mol, XLogP of 10.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-(9,9-dimethyl-1,2,5,6-tetrahydrofluoren-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 70806657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).