4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole

C52H41NO — CID 135249758

IUPAC4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C52H41NO/c1-50(2)51(3,4)54-49(53-50)39-19-15-18-38(31-39)45-33-47-48(43-25-14-13-24-42(43)45)44-29-28-37(36-27-26-34-16-11-12-17-35(34)30-36)32-46(44)52(47,40-20-7-5-8-21-40)41-22-9-6-10-23-41/h5-33H,1-4H3
InChIKeyJCKPBBOIRHCDRW-UHFFFAOYSA-N
MW695.91 g/mol
LogP13.02
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole (PubChem CID 135249758) has the molecular formula C52H41NO and a molecular weight of 695.91 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
PubChem CID135249758
Molecular FormulaC52H41NO
Molecular Weight695.91 g/mol
Exact Mass695.32
IUPAC Name4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C52H41NO/c1-50(2)51(3,4)54-49(53-50)39-19-15-18-38(31-39)45-33-47-48(43-25-14-13-24-42(43)45)44-29-28-37(36-27-26-34-16-11-12-17-35(34)30-36)32-46(44)52(47,40-20-7-5-8-21-40)41-22-9-6-10-23-41/h5-33H,1-4H3
InChIKeyJCKPBBOIRHCDRW-UHFFFAOYSA-N
XLogP13.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742596
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250029
4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole
CID 135249640

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole (CID 135249758) is 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole is CC1(C)N=C(c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccc6ccccc6c5)cc3C4(c3ccccc3)c3ccccc3)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole?
The InChIKey is JCKPBBOIRHCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NO/c1-50(2)51(3,4)54-49(53-50)39-19-15-18-38(31-39)45-33-47-48(43-25-14-13-24-42(43)45)44-29-28-37(36-27-26-34-16-11-12-17-35(34)30-36)32-46(44)52(47,40-20-7-5-8-21-40)41-22-9-6-10-23-41/h5-33H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole has a molecular weight of 695.91 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 135249758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).