8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline

C45H32N2 — CID 155765153

IUPAC8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cccc4cccnc34)cc1)c2-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C45H32N2/c1-45(2)39-16-4-3-13-38(39)42-40(45)26-25-35(29-17-19-30(20-18-29)36-14-5-9-33-11-7-27-46-43(33)36)41(42)32-23-21-31(22-24-32)37-15-6-10-34-12-8-28-47-44(34)37/h3-28H,1-2H3
InChIKeyCFHVGOKPVMTQOK-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.76
Rot. Bonds4

About 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline

8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline (PubChem CID 155765153) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
PubChem CID155765153
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cccc4cccnc34)cc1)c2-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C45H32N2/c1-45(2)39-16-4-3-13-38(39)42-40(45)26-25-35(29-17-19-30(20-18-29)36-14-5-9-33-11-7-27-46-43(33)36)41(42)32-23-21-31(22-24-32)37-15-6-10-34-12-8-28-47-44(34)37/h3-28H,1-2H3
InChIKeyCFHVGOKPVMTQOK-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539
8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline
CID 129254585
N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 122422700
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765144
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
2-[3-[4-[6-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168280
8-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 171421936
2,4-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;8-[4-[4-(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161276945
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194

Frequently Asked Questions

What is the IUPAC name of 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline (CID 155765153) is 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline is CC1(C)c2ccccc2-c2c1ccc(-c1ccc(-c3cccc4cccnc34)cc1)c2-c1ccc(-c2cccc3cccnc23)cc1.
What is the InChIKey of 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline?
The InChIKey is CFHVGOKPVMTQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)39-16-4-3-13-38(39)42-40(45)26-25-35(29-17-19-30(20-18-29)36-14-5-9-33-11-7-27-46-43(33)36)41(42)32-23-21-31(22-24-32)37-15-6-10-34-12-8-28-47-44(34)37/h3-28H,1-2H3.
What are the key properties of 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline?
8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline has a molecular weight of 600.77 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline is sourced from PubChem (CID 155765153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).