N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine

C38H28N2O — CID 153156571

IUPACN-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21
InChIInChI=1S/C38H28N2O/c1-38(2)33-16-10-9-15-30(33)31-21-20-29(24-34(31)38)40(27-13-7-4-8-14-27)28-19-17-25-18-22-35-36(32(25)23-28)41-37(39-35)26-11-5-3-6-12-26/h3-24H,1-2H3
InChIKeyWBNGVJYJVVOJPE-UHFFFAOYSA-N
MW528.66 g/mol
LogP10.42
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine

N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine (PubChem CID 153156571) has the molecular formula C38H28N2O and a molecular weight of 528.66 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
PubChem CID153156571
Molecular FormulaC38H28N2O
Molecular Weight528.66 g/mol
Exact Mass528.22
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21
InChIInChI=1S/C38H28N2O/c1-38(2)33-16-10-9-15-30(33)31-21-20-29(24-34(31)38)40(27-13-7-4-8-14-27)28-19-17-25-18-22-35-36(32(25)23-28)41-37(39-35)26-11-5-3-6-12-26/h3-24H,1-2H3
InChIKeyWBNGVJYJVVOJPE-UHFFFAOYSA-N
XLogP10.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 165067412
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 159228976
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743046
N-(9,9-dimethylfluoren-2-yl)-N,4-diphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16(21),17,19-decaen-19-amine
CID 170122300
N-(9,9-dimethylfluoren-2-yl)-N,4-diphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14(19),15,17,20-decaen-16-amine
CID 170122337
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168743074
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 161071511
N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158673888
9,9-dimethyl-N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-yl)naphthalen-2-yl]fluoren-2-amine
CID 176631389
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 170028240
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158931767

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine (CID 153156571) is N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine?
The InChIKey is WBNGVJYJVVOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O/c1-38(2)33-16-10-9-15-30(33)31-21-20-29(24-34(31)38)40(27-13-7-4-8-14-27)28-19-17-25-18-22-35-36(32(25)23-28)41-37(39-35)26-11-5-3-6-12-26/h3-24H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine has a molecular weight of 528.66 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 153156571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).