4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole

C50H37NS — CID 135249763

IUPAC4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cc2)=N1
InChIInChI=1S/C50H37NS/c1-49(2)32-52-48(51-49)35-24-22-34(23-25-35)44-31-46-47(42-20-12-11-19-41(42)44)43-28-27-38(37-26-21-33-13-9-10-14-36(33)29-37)30-45(43)50(46,39-15-5-3-6-16-39)40-17-7-4-8-18-40/h3-31H,32H2,1-2H3
InChIKeyPZPNPYNYDZCYRW-UHFFFAOYSA-N
MW683.92 g/mol
LogP12.96
Rot. Bonds5

About 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole

4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole (PubChem CID 135249763) has the molecular formula C50H37NS and a molecular weight of 683.92 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
PubChem CID135249763
Molecular FormulaC50H37NS
Molecular Weight683.92 g/mol
Exact Mass683.26
IUPAC Name4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
SMILESCC1(C)CSC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cc2)=N1
InChIInChI=1S/C50H37NS/c1-49(2)32-52-48(51-49)35-24-22-34(23-25-35)44-31-46-47(42-20-12-11-19-41(42)44)43-28-27-38(37-26-21-33-13-9-10-14-36(33)29-37)30-45(43)50(46,39-15-5-3-6-16-39)40-17-7-4-8-18-40/h3-31H,32H2,1-2H3
InChIKeyPZPNPYNYDZCYRW-UHFFFAOYSA-N
XLogP12.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.92
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742596
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250034
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250011
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118398145

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole?
The IUPAC name of 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole (CID 135249763) is 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole?
The canonical SMILES for 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole is CC1(C)CSC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)cc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole?
The InChIKey is PZPNPYNYDZCYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NS/c1-49(2)32-52-48(51-49)35-24-22-34(23-25-35)44-31-46-47(42-20-12-11-19-41(42)44)43-28-27-38(37-26-21-33-13-9-10-14-36(33)29-37)30-45(43)50(46,39-15-5-3-6-16-39)40-17-7-4-8-18-40/h3-31H,32H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole?
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole has a molecular weight of 683.92 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole is sourced from PubChem (CID 135249763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).