N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine

C34H29NO — CID 142340616

IUPACN-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine
SMILESC=C/C=C\c1oc2c(-c3ccc(Nc4cccc5c4-c4ccccc4C5(C)C)cc3)cccc2c1C
InChIInChI=1S/C34H29NO/c1-5-6-17-31-22(2)25-12-9-13-26(33(25)36-31)23-18-20-24(21-19-23)35-30-16-10-15-29-32(30)27-11-7-8-14-28(27)34(29,3)4/h5-21,35H,1H2,2-4H3/b17-6-
InChIKeyXPEGEZZMFLUOGU-FMQZQXMHSA-N
MW467.61 g/mol
LogP9.66
Rot. Bonds5

About N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine

N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 142340616) has the molecular formula C34H29NO and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine
PubChem CID142340616
Molecular FormulaC34H29NO
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC NameN-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine
SMILESC=C/C=C\c1oc2c(-c3ccc(Nc4cccc5c4-c4ccccc4C5(C)C)cc3)cccc2c1C
InChIInChI=1S/C34H29NO/c1-5-6-17-31-22(2)25-12-9-13-26(33(25)36-31)23-18-20-24(21-19-23)35-30-16-10-15-29-32(30)27-11-7-8-14-28(27)34(29,3)4/h5-21,35H,1H2,2-4H3/b17-6-
InChIKeyXPEGEZZMFLUOGU-FMQZQXMHSA-N
XLogP9.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)fluoranthen-8-amine
CID 142340766
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
[3-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]boronic acid
CID 144537251
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
CID 118198686

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine (CID 142340616) is N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine is C=C/C=C\c1oc2c(-c3ccc(Nc4cccc5c4-c4ccccc4C5(C)C)cc3)cccc2c1C.
What is the InChIKey of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine?
The InChIKey is XPEGEZZMFLUOGU-FMQZQXMHSA-N. The full InChI is InChI=1S/C34H29NO/c1-5-6-17-31-22(2)25-12-9-13-26(33(25)36-31)23-18-20-24(21-19-23)35-30-16-10-15-29-32(30)27-11-7-8-14-28(27)34(29,3)4/h5-21,35H,1H2,2-4H3/b17-6-.
What are the key properties of N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine?
N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 467.61 g/mol, XLogP of 9.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 142340616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).