N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine

C49H35NO — CID 166777333

IUPACN-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
SMILESC1=CC2c3ccccc3OC2C=C1c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C3c2ccccc2)cc1
InChIInChI=1S/C49H35NO/c1-3-9-33(10-4-1)34-15-17-35(18-16-34)36-19-24-40(25-20-36)50(42-28-30-45-46(32-42)49(45)38-11-5-2-6-12-38)41-26-21-37(22-27-41)39-23-29-44-43-13-7-8-14-47(43)51-48(44)31-39/h1-32,44,48-49H
InChIKeyIMCLIENDQXEYLE-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.48
Rot. Bonds7

About N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine

N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine (PubChem CID 166777333) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine.

Molecular Properties

Compound NameN-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
PubChem CID166777333
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
SMILESC1=CC2c3ccccc3OC2C=C1c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C3c2ccccc2)cc1
InChIInChI=1S/C49H35NO/c1-3-9-33(10-4-1)34-15-17-35(18-16-34)36-19-24-40(25-20-36)50(42-28-30-45-46(32-42)49(45)38-11-5-2-6-12-38)41-26-21-37(22-27-41)39-23-29-44-43-13-7-8-14-47(43)51-48(44)31-39/h1-32,44,48-49H
InChIKeyIMCLIENDQXEYLE-UHFFFAOYSA-N
XLogP12.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine with MolForge

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Related Compounds

7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 118052131
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
CID 168855932
N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 129301080
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146360315

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The IUPAC name of N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine (CID 166777333) is N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine.
What is the SMILES notation for N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The canonical SMILES for N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine is C1=CC2c3ccccc3OC2C=C1c1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C3c2ccccc2)cc1.
What is the InChIKey of N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The InChIKey is IMCLIENDQXEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-3-9-33(10-4-1)34-15-17-35(18-16-34)36-19-24-40(25-20-36)50(42-28-30-45-46(32-42)49(45)38-11-5-2-6-12-38)41-26-21-37(22-27-41)39-23-29-44-43-13-7-8-14-47(43)51-48(44)31-39/h1-32,44,48-49H.
What are the key properties of N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine has a molecular weight of 653.83 g/mol, XLogP of 12.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine is sourced from PubChem (CID 166777333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).