6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole

C40H30N2O — CID 145202361

IUPAC6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OC(c4ccc6[nH]ccc6c4)N5)c4ccccc34)cc21
InChIInChI=1S/C40H30N2O/c1-40(2)34-10-6-5-9-32(34)33-14-11-24(22-35(33)40)28-15-16-29(31-8-4-3-7-30(28)31)25-12-18-37-38(23-25)43-39(42-37)27-13-17-36-26(21-27)19-20-41-36/h3-23,39,41-42H,1-2H3
InChIKeyYOGYCJJFWCERRH-UHFFFAOYSA-N
MW554.69 g/mol
LogP10.46
Rot. Bonds3

About 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole

6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole (PubChem CID 145202361) has the molecular formula C40H30N2O and a molecular weight of 554.69 g/mol. Its IUPAC name is 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole
PubChem CID145202361
Molecular FormulaC40H30N2O
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC Name6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OC(c4ccc6[nH]ccc6c4)N5)c4ccccc34)cc21
InChIInChI=1S/C40H30N2O/c1-40(2)34-10-6-5-9-32(34)33-14-11-24(22-35(33)40)28-15-16-29(31-8-4-3-7-30(28)31)25-12-18-37-38(23-25)43-39(42-37)27-13-17-36-26(21-27)19-20-41-36/h3-23,39,41-42H,1-2H3
InChIKeyYOGYCJJFWCERRH-UHFFFAOYSA-N
XLogP10.46
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 510.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole (CID 145202361) is 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)OC(c4ccc6[nH]ccc6c4)N5)c4ccccc34)cc21.
What is the InChIKey of 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole?
The InChIKey is YOGYCJJFWCERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O/c1-40(2)34-10-6-5-9-32(34)33-14-11-24(22-35(33)40)28-15-16-29(31-8-4-3-7-30(28)31)25-12-18-37-38(23-25)43-39(42-37)27-13-17-36-26(21-27)19-20-41-36/h3-23,39,41-42H,1-2H3.
What are the key properties of 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole?
6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole has a molecular weight of 554.69 g/mol, XLogP of 10.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-(1H-indol-5-yl)-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 145202361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).