3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole

C38H28Se — CID 171742544

IUPAC3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole
SMILESCC1(C)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)[se]c2cc4ccccc4cc23)c2ccccc21
InChIInChI=1S/C38H28Se/c1-37(2)31-16-8-10-18-33(31)38(27-14-4-3-5-15-27,34-19-11-9-17-32(34)37)28-20-21-29-30-22-25-12-6-7-13-26(25)23-35(30)39-36(29)24-28/h3-24H,1-2H3
InChIKeyDIBKWLGQSMTPBC-UHFFFAOYSA-N
MW563.60 g/mol
LogP9.23
Rot. Bonds2

About 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole

3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole (PubChem CID 171742544) has the molecular formula C38H28Se and a molecular weight of 563.60 g/mol. Its IUPAC name is 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole.

Molecular Properties

Compound Name3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole
PubChem CID171742544
Molecular FormulaC38H28Se
Molecular Weight563.60 g/mol
Exact Mass564.14
IUPAC Name3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole
SMILESCC1(C)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)[se]c2cc4ccccc4cc23)c2ccccc21
InChIInChI=1S/C38H28Se/c1-37(2)31-16-8-10-18-33(31)38(27-14-4-3-5-15-27,34-19-11-9-17-32(34)37)28-20-21-29-30-22-25-12-6-7-13-26(25)23-35(30)39-36(29)24-28/h3-24H,1-2H3
InChIKeyDIBKWLGQSMTPBC-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.60
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene
CID 155465229
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethylanthracen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886340
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 129230818
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449768
N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 129230853
anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
CID 158056839
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
CID 140919922
2-[9-(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-2-yl]-1,3-benzothiazole;bis(2-(9-naphthalen-2-yl-9-phenylfluoren-2-yl)-1,3-benzothiazole);2-(9-phenanthren-2-yl-9-phenylfluoren-2-yl)-1,3-benzothiazole
CID 158857669

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole?
The IUPAC name of 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole (CID 171742544) is 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole.
What is the SMILES notation for 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole?
The canonical SMILES for 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole is CC1(C)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)[se]c2cc4ccccc4cc23)c2ccccc21.
What is the InChIKey of 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole?
The InChIKey is DIBKWLGQSMTPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28Se/c1-37(2)31-16-8-10-18-33(31)38(27-14-4-3-5-15-27,34-19-11-9-17-32(34)37)28-20-21-29-30-22-25-12-6-7-13-26(25)23-35(30)39-36(29)24-28/h3-24H,1-2H3.
What are the key properties of 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole?
3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole has a molecular weight of 563.60 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-dimethyl-9-phenylanthracen-9-yl)naphtho[2,3-b][1]benzoselenole is sourced from PubChem (CID 171742544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).