N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C63H42N2O2 — CID 152835984

IUPACN-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5n34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C63H42N2O2/c1-63(2)53-36-43(48-21-13-23-56-61(48)67-62-59(42-17-7-4-8-18-42)51-20-11-12-22-55(51)65(56)62)26-32-49(53)50-33-30-45(37-54(50)63)64(44-28-24-40(25-29-44)39-14-5-3-6-15-39)46-31-34-52-58(38-46)66-57-35-27-41-16-9-10-19-47(41)60(52)57/h3-38H,1-2H3
InChIKeySXNMNQZRYKBZPL-UHFFFAOYSA-N
MW859.04 g/mol
LogP17.67
Rot. Bonds6

About N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 152835984) has the molecular formula C63H42N2O2 and a molecular weight of 859.04 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID152835984
Molecular FormulaC63H42N2O2
Molecular Weight859.04 g/mol
Exact Mass858.32
IUPAC NameN-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5n34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C63H42N2O2/c1-63(2)53-36-43(48-21-13-23-56-61(48)67-62-59(42-17-7-4-8-18-42)51-20-11-12-22-55(51)65(56)62)26-32-49(53)50-33-30-45(37-54(50)63)64(44-28-24-40(25-29-44)39-14-5-3-6-15-39)46-31-34-52-58(38-46)66-57-35-27-41-16-9-10-19-47(41)60(52)57/h3-38H,1-2H3
InChIKeySXNMNQZRYKBZPL-UHFFFAOYSA-N
XLogP17.67
TPSA33.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.04
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-[3-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-3-amine
CID 148565262
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 146508772
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)fluoren-2-amine
CID 170035031
9,9-dimethyl-7-phenanthren-4-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118369438
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
N,N-bis(9,9-dimethylfluoren-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine;N-(4-indolo[2,1-b][1,3]benzoxazol-11-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-(4-indolo[2,1-b][1,3]benzoxazol-11-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine
CID 165013647
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 129256099
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 152835984) is N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is CC1(C)c2cc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5n34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is SXNMNQZRYKBZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2/c1-63(2)53-36-43(48-21-13-23-56-61(48)67-62-59(42-17-7-4-8-18-42)51-20-11-12-22-55(51)65(56)62)26-32-49(53)50-33-30-45(37-54(50)63)64(44-28-24-40(25-29-44)39-14-5-3-6-15-39)46-31-34-52-58(38-46)66-57-35-27-41-16-9-10-19-47(41)60(52)57/h3-38H,1-2H3.
What are the key properties of N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 859.04 g/mol, XLogP of 17.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 152835984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).