N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

C61H41NO3 — CID 138582682

IUPACN-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cccc(N(c3ccc(C4=CC5c6ccccc6OC5C=C4)cc3)c3ccc(-c4ccccc4)cc3)c2O1
InChIInChI=1S/C61H41NO3/c1-2-13-38(14-3-1)39-25-30-42(31-26-39)62(43-32-27-40(28-33-43)41-29-35-55-48(37-41)46-17-7-11-23-54(46)63-55)53-22-12-24-56-59(53)64-57-36-34-52-58(60(57)65-56)47-18-6-10-21-51(47)61(52)49-19-8-4-15-44(49)45-16-5-9-20-50(45)61/h1-8,10-19,21-37,48,55H,9,20H2
InChIKeyPEANRRAWAJVEIT-UHFFFAOYSA-N
MW836.00 g/mol
LogP15.65
Rot. Bonds5

About N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine (PubChem CID 138582682) has the molecular formula C61H41NO3 and a molecular weight of 836.00 g/mol. Its IUPAC name is N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.

Molecular Properties

Compound NameN-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
PubChem CID138582682
Molecular FormulaC61H41NO3
Molecular Weight836.00 g/mol
Exact Mass835.31
IUPAC NameN-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cccc(N(c3ccc(C4=CC5c6ccccc6OC5C=C4)cc3)c3ccc(-c4ccccc4)cc3)c2O1
InChIInChI=1S/C61H41NO3/c1-2-13-38(14-3-1)39-25-30-42(31-26-39)62(43-32-27-40(28-33-43)41-29-35-55-48(37-41)46-17-7-11-23-54(46)63-55)53-22-12-24-56-59(53)64-57-36-34-52-58(60(57)65-56)47-18-6-10-21-51(47)61(52)49-19-8-4-15-44(49)45-16-5-9-20-50(45)61/h1-8,10-19,21-37,48,55H,9,20H2
InChIKeyPEANRRAWAJVEIT-UHFFFAOYSA-N
XLogP15.65
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.00
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
CID 138581502
2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine
CID 129194396
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 123261989
7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 118052131
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138581462
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
CID 138582687
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The IUPAC name of 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) is N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.
What is the SMILES notation for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The canonical SMILES for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c1ccc1c2Oc2cccc(N(c3ccc(C4=CC5c6ccccc6OC5C=C4)cc3)c3ccc(-c4ccccc4)cc3)c2O1.
What is the InChIKey of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The InChIKey is PEANRRAWAJVEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO3/c1-2-13-38(14-3-1)39-25-30-42(31-26-39)62(43-32-27-40(28-33-43)41-29-35-55-48(37-41)46-17-7-11-23-54(46)63-55)53-22-12-24-56-59(53)64-57-36-34-52-58(60(57)65-56)47-18-6-10-21-51(47)61(52)49-19-8-4-15-44(49)45-16-5-9-20-50(45)61/h1-8,10-19,21-37,48,55H,9,20H2.
What are the key properties of N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine has a molecular weight of 836.00 g/mol, XLogP of 15.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is sourced from PubChem (CID 138582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).