N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C52H38N2O2 — CID 171754663

IUPACN-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3Oc3ccc(-c4nc5ccccc5o4)cc3)cc21
InChIInChI=1S/C52H38N2O2/c1-52(2)45-15-7-6-14-43(45)44-33-30-41(34-46(44)52)54(40-28-24-38(25-29-40)37-22-20-36(21-23-37)35-12-4-3-5-13-35)48-17-9-11-19-50(48)55-42-31-26-39(27-32-42)51-53-47-16-8-10-18-49(47)56-51/h3-34H,1-2H3
InChIKeyPAPTUGKDPLVJKX-UHFFFAOYSA-N
MW722.89 g/mol
LogP14.40
Rot. Bonds8

About N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 171754663) has the molecular formula C52H38N2O2 and a molecular weight of 722.89 g/mol. Its IUPAC name is N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID171754663
Molecular FormulaC52H38N2O2
Molecular Weight722.89 g/mol
Exact Mass722.29
IUPAC NameN-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3Oc3ccc(-c4nc5ccccc5o4)cc3)cc21
InChIInChI=1S/C52H38N2O2/c1-52(2)45-15-7-6-14-43(45)44-33-30-41(34-46(44)52)54(40-28-24-38(25-29-40)37-22-20-36(21-23-37)35-12-4-3-5-13-35)48-17-9-11-19-50(48)55-42-31-26-39(27-32-42)51-53-47-16-8-10-18-49(47)56-51/h3-34H,1-2H3
InChIKeyPAPTUGKDPLVJKX-UHFFFAOYSA-N
XLogP14.40
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
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-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731432
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
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 171754663) is N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc3Oc3ccc(-c4nc5ccccc5o4)cc3)cc21.
What is the InChIKey of N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is PAPTUGKDPLVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O2/c1-52(2)45-15-7-6-14-43(45)44-33-30-41(34-46(44)52)54(40-28-24-38(25-29-40)37-22-20-36(21-23-37)35-12-4-3-5-13-35)48-17-9-11-19-50(48)55-42-31-26-39(27-32-42)51-53-47-16-8-10-18-49(47)56-51/h3-34H,1-2H3.
What are the key properties of N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 722.89 g/mol, XLogP of 14.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171754663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).