N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C37H27NO — CID 177121842

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4cccc5c4oc4c6ccccc6ccc54)cc3)c21
InChIInChI=1S/C37H27NO/c1-37(2)32-15-6-5-11-28(32)29-13-7-12-26(34(29)37)24-17-20-25(21-18-24)38-33-16-8-14-30-31-22-19-23-9-3-4-10-27(23)35(31)39-36(30)33/h3-22,38H,1-2H3
InChIKeyGQVDKSCCYCDHPI-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.46
Rot. Bonds3

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121842) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121842
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4cccc5c4oc4c6ccccc6ccc54)cc3)c21
InChIInChI=1S/C37H27NO/c1-37(2)32-15-6-5-11-28(32)29-13-7-12-26(34(29)37)24-17-20-25(21-18-24)38-33-16-8-14-30-31-22-19-23-9-3-4-10-27(23)35(31)39-36(30)33/h3-22,38H,1-2H3
InChIKeyGQVDKSCCYCDHPI-UHFFFAOYSA-N
XLogP10.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121544
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
CID 118027817
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 126559839
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 177121842) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(Nc4cccc5c4oc4c6ccccc6ccc54)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is GQVDKSCCYCDHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37(2)32-15-6-5-11-28(32)29-13-7-12-26(34(29)37)24-17-20-25(21-18-24)38-33-16-8-14-30-31-22-19-23-9-3-4-10-27(23)35(31)39-36(30)33/h3-22,38H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 501.63 g/mol, XLogP of 10.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).