3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline

C65H56N8 — CID 163816192

IUPAC3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline
SMILESCC1(C)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)ccc2C2=CC=C(c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)CC21
InChIInChI=1S/C65H56N8/c1-65(2)53-37-43(63-70-59-49-17-9-33-66-55(49)57-51(19-11-35-68-57)61(59)72(63)45-27-21-41(22-28-45)39-13-5-3-6-14-39)25-31-47(53)48-32-26-44(38-54(48)65)64-71-60-50-18-10-34-67-56(50)58-52(20-12-36-69-58)62(60)73(64)46-29-23-42(24-30-46)40-15-7-4-8-16-40/h9-12,17-37,39-40,54H,3-8,13-16,38H2,1-2H3
InChIKeyNRNURQYWAIYQRX-UHFFFAOYSA-N
MW949.22 g/mol
LogP16.10
Rot. Bonds6

About 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline

3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline (PubChem CID 163816192) has the molecular formula C65H56N8 and a molecular weight of 949.22 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline
PubChem CID163816192
Molecular FormulaC65H56N8
Molecular Weight949.22 g/mol
Exact Mass948.46
IUPAC Name3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline
SMILESCC1(C)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)ccc2C2=CC=C(c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)CC21
InChIInChI=1S/C65H56N8/c1-65(2)53-37-43(63-70-59-49-17-9-33-66-55(49)57-51(19-11-35-68-57)61(59)72(63)45-27-21-41(22-28-45)39-13-5-3-6-14-39)25-31-47(53)48-32-26-44(38-54(48)65)64-71-60-50-18-10-34-67-56(50)58-52(20-12-36-69-58)62(60)73(64)46-29-23-42(24-30-46)40-15-7-4-8-16-40/h9-12,17-37,39-40,54H,3-8,13-16,38H2,1-2H3
InChIKeyNRNURQYWAIYQRX-UHFFFAOYSA-N
XLogP16.10
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.22
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline with MolForge

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Related Compounds

2-[3-(4-tert-butylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]anthracene-9,10-dione;bis(2-pyridin-2-ylpyridine);ruthenium(6+)
CID 71767861
2-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-3-(3,5-dimethylphenyl)imidazo[4,5-f][1,10]phenanthroline
CID 102529074
N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
CID 145089608
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770852
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
iridium;4-[3-(4-methylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenol;bis(2-phenylpyridine)
CID 169049656
3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115162
3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 129298840
2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
CID 159086204
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115165
3-methyl-2-[6-(3-methylimidazo[4,5-f][1,10]phenanthrolin-2-yl)-9H-carbazol-3-yl]imidazo[4,5-f][1,10]phenanthroline
CID 132510188

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline (CID 163816192) is 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline is CC1(C)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)ccc2C2=CC=C(c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(C4CCCCC4)cc3)CC21.
What is the InChIKey of 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is NRNURQYWAIYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N8/c1-65(2)53-37-43(63-70-59-49-17-9-33-66-55(49)57-51(19-11-35-68-57)61(59)72(63)45-27-21-41(22-28-45)39-13-5-3-6-14-39)25-31-47(53)48-32-26-44(38-54(48)65)64-71-60-50-18-10-34-67-56(50)58-52(20-12-36-69-58)62(60)73(64)46-29-23-42(24-30-46)40-15-7-4-8-16-40/h9-12,17-37,39-40,54H,3-8,13-16,38H2,1-2H3.
What are the key properties of 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline?
3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 949.22 g/mol, XLogP of 16.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-2-[7-[3-(4-cyclohexylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 163816192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).