5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine

C44H32N2O — CID 177081962

IUPAC5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4ccccc34)ccc2-c2c(-c3nc4ccccc4o3)cccc21
InChIInChI=1S/C44H32N2O/c1-44(2)36-21-13-20-35(43-45-38-22-9-11-25-41(38)47-43)42(36)34-27-26-31(28-37(34)44)46(40-24-12-17-30-16-6-7-18-33(30)40)39-23-10-8-19-32(39)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyDBYAOOSNVWFRDG-UHFFFAOYSA-N
MW604.75 g/mol
LogP12.09
Rot. Bonds5

About 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine

5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 177081962) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID177081962
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4ccccc34)ccc2-c2c(-c3nc4ccccc4o3)cccc21
InChIInChI=1S/C44H32N2O/c1-44(2)36-21-13-20-35(43-45-38-22-9-11-25-41(38)47-43)42(36)34-27-26-31(28-37(34)44)46(40-24-12-17-30-16-6-7-18-33(30)40)39-23-10-8-19-32(39)29-14-4-3-5-15-29/h3-28H,1-2H3
InChIKeyDBYAOOSNVWFRDG-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 171754874
N-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
CID 155478018
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731432
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417859
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176844315
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 155473489
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 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine (CID 177081962) is 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4ccccc34)ccc2-c2c(-c3nc4ccccc4o3)cccc21.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is DBYAOOSNVWFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-44(2)36-21-13-20-35(43-45-38-22-9-11-25-41(38)47-43)42(36)34-27-26-31(28-37(34)44)46(40-24-12-17-30-16-6-7-18-33(30)40)39-23-10-8-19-32(39)29-14-4-3-5-15-29/h3-28H,1-2H3.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 604.75 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177081962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).