N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine

C40H28N2O2 — CID 167129231

IUPACN-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6oc(-c7ccccc7)nc6cc5c34)cc21
InChIInChI=1S/C40H28N2O2/c1-40(2)31-17-10-9-16-28(31)29-21-20-27(22-32(29)40)42(26-14-7-4-8-15-26)34-18-11-19-35-38(34)30-23-33-37(24-36(30)43-35)44-39(41-33)25-12-5-3-6-13-25/h3-24H,1-2H3
InChIKeyLTCZWJPYYVHLKD-UHFFFAOYSA-N
MW568.68 g/mol
LogP11.17
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine

N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine (PubChem CID 167129231) has the molecular formula C40H28N2O2 and a molecular weight of 568.68 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine
PubChem CID167129231
Molecular FormulaC40H28N2O2
Molecular Weight568.68 g/mol
Exact Mass568.22
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6oc(-c7ccccc7)nc6cc5c34)cc21
InChIInChI=1S/C40H28N2O2/c1-40(2)31-17-10-9-16-28(31)29-21-20-27(22-32(29)40)42(26-14-7-4-8-15-26)34-18-11-19-35-38(34)30-23-33-37(24-36(30)43-35)44-39(41-33)25-12-5-3-6-13-25/h3-24H,1-2H3
InChIKeyLTCZWJPYYVHLKD-UHFFFAOYSA-N
XLogP11.17
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 170776738
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
CID 167129831
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731432
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 167128842
3-N-dibenzofuran-2-yl-3-N-[4-(9,9-dimethylindeno[1,2-f][1,3]benzoxazol-2-yl)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504242

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine (CID 167129231) is N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4oc5cc6oc(-c7ccccc7)nc6cc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine?
The InChIKey is LTCZWJPYYVHLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O2/c1-40(2)31-17-10-9-16-28(31)29-21-20-27(22-32(29)40)42(26-14-7-4-8-15-26)34-18-11-19-35-38(34)30-23-33-37(24-36(30)43-35)44-39(41-33)25-12-5-3-6-13-25/h3-24H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine has a molecular weight of 568.68 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-amine is sourced from PubChem (CID 167129231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).