N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine

C41H29N3O2 — CID 163850631

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccccc5)oc4c3)c3ccc4nc(-c5ccccc5)oc4c3)cc21
InChIInChI=1S/C41H29N3O2/c1-41(2)33-16-10-9-15-31(33)32-20-17-28(23-34(32)41)44(29-18-21-35-37(24-29)45-39(42-35)26-11-5-3-6-12-26)30-19-22-36-38(25-30)46-40(43-36)27-13-7-4-8-14-27/h3-25H,1-2H3
InChIKeyOUBBLCPDLSFTCN-UHFFFAOYSA-N
MW595.70 g/mol
LogP11.08
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine (PubChem CID 163850631) has the molecular formula C41H29N3O2 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
PubChem CID163850631
Molecular FormulaC41H29N3O2
Molecular Weight595.70 g/mol
Exact Mass595.23
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccccc5)oc4c3)c3ccc4nc(-c5ccccc5)oc4c3)cc21
InChIInChI=1S/C41H29N3O2/c1-41(2)33-16-10-9-15-31(33)32-20-17-28(23-34(32)41)44(29-18-21-35-37(24-29)45-39(42-35)26-11-5-3-6-12-26)30-19-22-36-38(25-30)46-40(43-36)27-13-7-4-8-14-27/h3-25H,1-2H3
InChIKeyOUBBLCPDLSFTCN-UHFFFAOYSA-N
XLogP11.08
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,3-benzoxazol-6-amine
CID 168731607
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731432
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
9,9-dimethyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 146581624
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazol-6-amine
CID 168731546
9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
CID 146581867
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 153156571
2-N,7-N-bis[3-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473375

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine (CID 163850631) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccccc5)oc4c3)c3ccc4nc(-c5ccccc5)oc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine?
The InChIKey is OUBBLCPDLSFTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O2/c1-41(2)33-16-10-9-15-31(33)32-20-17-28(23-34(32)41)44(29-18-21-35-37(24-29)45-39(42-35)26-11-5-3-6-12-26)30-19-22-36-38(25-30)46-40(43-36)27-13-7-4-8-14-27/h3-25H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine has a molecular weight of 595.70 g/mol, XLogP of 11.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 163850631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).