N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine

C38H29NO — CID 167309836

IUPACN-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
SMILESC=C1/C(=C\C=C/C)c2ccccc2C1(c1ccccc1)c1cccc(Nc2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H29NO/c1-3-4-18-30-26(2)38(27-14-6-5-7-15-27,34-22-10-8-19-31(30)34)28-16-12-17-29(25-28)39-35-23-13-21-33-32-20-9-11-24-36(32)40-37(33)35/h3-25,39H,2H2,1H3/b4-3-,30-18+
InChIKeySFVOJCXWXQEMBP-KUQHAIHPSA-N
MW515.66 g/mol
LogP10.19
Rot. Bonds5

About N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine

N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine (PubChem CID 167309836) has the molecular formula C38H29NO and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
PubChem CID167309836
Molecular FormulaC38H29NO
Molecular Weight515.66 g/mol
Exact Mass515.22
IUPAC NameN-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
SMILESC=C1/C(=C\C=C/C)c2ccccc2C1(c1ccccc1)c1cccc(Nc2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H29NO/c1-3-4-18-30-26(2)38(27-14-6-5-7-15-27,34-22-10-8-19-31(30)34)28-16-12-17-29(25-28)39-35-23-13-21-33-32-20-9-11-24-36(32)40-37(33)35/h3-25,39H,2H2,1H3/b4-3-,30-18+
InChIKeySFVOJCXWXQEMBP-KUQHAIHPSA-N
XLogP10.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176624729
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
CID 166924260
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 159911224
ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
CID 144920231
1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
CID 168799136
buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
CID 168806172

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine (CID 167309836) is N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine is C=C1/C(=C\C=C/C)c2ccccc2C1(c1ccccc1)c1cccc(Nc2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is SFVOJCXWXQEMBP-KUQHAIHPSA-N. The full InChI is InChI=1S/C38H29NO/c1-3-4-18-30-26(2)38(27-14-6-5-7-15-27,34-22-10-8-19-31(30)34)28-16-12-17-29(25-28)39-35-23-13-21-33-32-20-9-11-24-36(32)40-37(33)35/h3-25,39H,2H2,1H3/b4-3-,30-18+.
What are the key properties of N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine?
N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 515.66 g/mol, XLogP of 10.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167309836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).