1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline

C48H37N — CID 59195882

IUPAC1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4CCCc5ccccc54)c4ccc(-c5cccc6ccccc56)cc34)cccc21
InChIInChI=1S/C48H37N/c1-48(2)42-24-9-8-21-39(42)46-40(23-12-25-43(46)48)45-36-19-6-7-20-37(36)47(49-29-13-17-32-15-4-10-26-44(32)49)38-28-27-33(30-41(38)45)35-22-11-16-31-14-3-5-18-34(31)35/h3-12,14-16,18-28,30H,13,17,29H2,1-2H3
InChIKeyDTOBGBNKQWSRCD-UHFFFAOYSA-N
MW627.83 g/mol
LogP12.87
Rot. Bonds3

About 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline

1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline (PubChem CID 59195882) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
PubChem CID59195882
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC Name1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4CCCc5ccccc54)c4ccc(-c5cccc6ccccc56)cc34)cccc21
InChIInChI=1S/C48H37N/c1-48(2)42-24-9-8-21-39(42)46-40(23-12-25-43(46)48)45-36-19-6-7-20-37(36)47(49-29-13-17-32-15-4-10-26-44(32)49)38-28-27-33(30-41(38)45)35-22-11-16-31-14-3-5-18-34(31)35/h3-12,14-16,18-28,30H,13,17,29H2,1-2H3
InChIKeyDTOBGBNKQWSRCD-UHFFFAOYSA-N
XLogP12.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220942
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
10-(1-adamantyl)-9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-ylanthracene
CID 59194868
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195931
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(2-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220392
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220521

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline (CID 59195882) is 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(N4CCCc5ccccc54)c4ccc(-c5cccc6ccccc56)cc34)cccc21.
What is the InChIKey of 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is DTOBGBNKQWSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-48(2)42-24-9-8-21-39(42)46-40(23-12-25-43(46)48)45-36-19-6-7-20-37(36)47(49-29-13-17-32-15-4-10-26-44(32)49)38-28-27-33(30-41(38)45)35-22-11-16-31-14-3-5-18-34(31)35/h3-12,14-16,18-28,30H,13,17,29H2,1-2H3.
What are the key properties of 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline?
1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 627.83 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59195882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).