N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine

C56H41NO — CID 169295634

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c4c3)cc21
InChIInChI=1S/C56H41NO/c1-55(2)48-22-11-9-19-41(48)43-27-24-37(32-50(43)55)57(38-25-28-44-42-20-10-12-23-49(42)56(3,4)51(44)33-38)36-26-29-52-46(31-36)47-30-35-15-6-8-18-40(35)53(54(47)58-52)45-21-13-16-34-14-5-7-17-39(34)45/h5-33H,1-4H3
InChIKeyTVCLOMPRBQAATE-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.64
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169295634) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169295634
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c4c3)cc21
InChIInChI=1S/C56H41NO/c1-55(2)48-22-11-9-19-41(48)43-27-24-37(32-50(43)55)57(38-25-28-44-42-20-10-12-23-49(42)56(3,4)51(44)33-38)36-26-29-52-46(31-36)47-30-35-15-6-8-18-40(35)53(54(47)58-52)45-21-13-16-34-14-5-7-17-39(34)45/h5-33H,1-4H3
InChIKeyTVCLOMPRBQAATE-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
6-dibenzofuran-4-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295348
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 165052163
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine (CID 169295634) is N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c4c3)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is TVCLOMPRBQAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-55(2)48-22-11-9-19-41(48)43-27-24-37(32-50(43)55)57(38-25-28-44-42-20-10-12-23-49(42)56(3,4)51(44)33-38)36-26-29-52-46(31-36)47-30-35-15-6-8-18-40(35)53(54(47)58-52)45-21-13-16-34-14-5-7-17-39(34)45/h5-33H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 743.95 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169295634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).