10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline

C38H27N — CID 59183079

IUPAC10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)c21
InChIInChI=1S/C38H27N/c1-38(2)34-20-8-7-14-26(34)31-18-10-19-32(37(31)38)36-29-16-6-5-15-28(29)35(30-21-22-39-23-33(30)36)27-17-9-12-24-11-3-4-13-25(24)27/h3-23H,1-2H3
InChIKeyHDAAOACEOGWTSO-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.18
Rot. Bonds2

About 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline

10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline (PubChem CID 59183079) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
PubChem CID59183079
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)c21
InChIInChI=1S/C38H27N/c1-38(2)34-20-8-7-14-26(34)31-18-10-19-32(37(31)38)36-29-16-6-5-15-28(29)35(30-21-22-39-23-33(30)36)27-17-9-12-24-11-3-4-13-25(24)27/h3-23H,1-2H3
InChIKeyHDAAOACEOGWTSO-UHFFFAOYSA-N
XLogP10.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.18
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

10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
CID 59183637
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183762
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
11,11-dimethyl-1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724884
10-dibenzofuran-4-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183399
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
7-tert-butyl-5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-tert-butyl-10-naphthalen-2-yl-5-phenylbenzo[g]isoquinoline;5-(9,9-dimethylfluoren-2-yl)-7-methyl-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(9,9-dimethylfluoren-2-yl)-7-methyl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-methyl-5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-methyl-10-naphthalen-2-yl-5-(4-phenylphenyl)benzo[g]isoquinoline
CID 160787128
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline?
The IUPAC name of 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline (CID 59183079) is 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline.
What is the SMILES notation for 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline?
The canonical SMILES for 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline is CC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)c21.
What is the InChIKey of 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline?
The InChIKey is HDAAOACEOGWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-38(2)34-20-8-7-14-26(34)31-18-10-19-32(37(31)38)36-29-16-6-5-15-28(29)35(30-21-22-39-23-33(30)36)27-17-9-12-24-11-3-4-13-25(24)27/h3-23H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline?
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline has a molecular weight of 497.64 g/mol, XLogP of 10.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline is sourced from PubChem (CID 59183079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).