N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

C54H34N2O2 — CID 171754319

IUPACN-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Cc3ccccc3-4)c3cc4ccccc4c4oc5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5c34)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-3-11-34(12-4-1)35-19-23-42(24-20-35)56(43-25-26-45-41(30-43)29-39-15-7-9-17-44(39)45)49-32-40-16-8-10-18-46(40)53-52(49)47-31-37(22-28-50(47)57-53)38-21-27-48-51(33-38)58-54(55-48)36-13-5-2-6-14-36/h1-28,30-33H,29H2
InChIKeyDUUHPYRNFQCEEW-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.92
Rot. Bonds6

About N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine

N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 171754319) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
PubChem CID171754319
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Cc3ccccc3-4)c3cc4ccccc4c4oc5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5c34)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-3-11-34(12-4-1)35-19-23-42(24-20-35)56(43-25-26-45-41(30-43)29-39-15-7-9-17-44(39)45)49-32-40-16-8-10-18-46(40)53-52(49)47-31-37(22-28-50(47)57-53)38-21-27-48-51(33-38)58-54(55-48)36-13-5-2-6-14-36/h1-28,30-33H,29H2
InChIKeyDUUHPYRNFQCEEW-UHFFFAOYSA-N
XLogP14.92
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
CID 171754122
N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171754558
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine
CID 171755319
N,4-diphenyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]aniline
CID 171754733
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123135
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-6-amine
CID 177119663
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine
CID 167123230
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
CID 168804479
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167403227

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine (CID 171754319) is N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Cc3ccccc3-4)c3cc4ccccc4c4oc5ccc(-c6ccc7nc(-c8ccccc8)oc7c6)cc5c34)cc2)cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is DUUHPYRNFQCEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-3-11-34(12-4-1)35-19-23-42(24-20-35)56(43-25-26-45-41(30-43)29-39-15-7-9-17-44(39)45)49-32-40-16-8-10-18-46(40)53-52(49)47-31-37(22-28-50(47)57-53)38-21-27-48-51(33-38)58-54(55-48)36-13-5-2-6-14-36/h1-28,30-33H,29H2.
What are the key properties of N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine?
N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 742.88 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-8-(2-phenyl-1,3-benzoxazol-6-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 171754319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).