1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline

C61H44N2 — CID 89168041

IUPAC1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline
SMILESC=C1c2ccccc2-c2ccc(-c3c4ccc(N5CC=Cc6ccccc65)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5CC=Cc6ccccc65)cc34)cc21
InChIInChI=1S/C61H44N2/c1-38-45-18-6-7-19-46(45)47-28-24-41(34-52(38)47)59-50-30-26-44(63-33-13-17-40-15-5-11-23-58(40)63)37-54(50)60(42-25-29-49-48-20-8-9-21-55(48)61(2,3)56(49)35-42)51-31-27-43(36-53(51)59)62-32-12-16-39-14-4-10-22-57(39)62/h4-31,34-37H,1,32-33H2,2-3H3
InChIKeySFCQMDSANZMMNS-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.00
Rot. Bonds4

About 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline

1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline (PubChem CID 89168041) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline.

Molecular Properties

Compound Name1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline
PubChem CID89168041
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline
SMILESC=C1c2ccccc2-c2ccc(-c3c4ccc(N5CC=Cc6ccccc65)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5CC=Cc6ccccc65)cc34)cc21
InChIInChI=1S/C61H44N2/c1-38-45-18-6-7-19-46(45)47-28-24-41(34-52(38)47)59-50-30-26-44(63-33-13-17-40-15-5-11-23-58(40)63)37-54(50)60(42-25-29-49-48-20-8-9-21-55(48)61(2,3)56(49)35-42)51-31-27-43(36-53(51)59)62-32-12-16-39-14-4-10-22-57(39)62/h4-31,34-37H,1,32-33H2,2-3H3
InChIKeySFCQMDSANZMMNS-UHFFFAOYSA-N
XLogP16.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline with MolForge

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-11-methylbenzo[b][1]benzazepine
CID 59195488
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111108
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
CID 59220847
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220433
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822

Frequently Asked Questions

What is the IUPAC name of 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline?
The IUPAC name of 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline (CID 89168041) is 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline.
What is the SMILES notation for 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline?
The canonical SMILES for 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline is C=C1c2ccccc2-c2ccc(-c3c4ccc(N5CC=Cc6ccccc65)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N5CC=Cc6ccccc65)cc34)cc21.
What is the InChIKey of 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline?
The InChIKey is SFCQMDSANZMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-38-45-18-6-7-19-46(45)47-28-24-41(34-52(38)47)59-50-30-26-44(63-33-13-17-40-15-5-11-23-58(40)63)37-54(50)60(42-25-29-49-48-20-8-9-21-55(48)61(2,3)56(49)35-42)51-31-27-43(36-53(51)59)62-32-12-16-39-14-4-10-22-57(39)62/h4-31,34-37H,1,32-33H2,2-3H3.
What are the key properties of 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline?
1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline has a molecular weight of 805.04 g/mol, XLogP of 16.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline is sourced from PubChem (CID 89168041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).