N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine

C49H35NO2 — CID 170301593

IUPACN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C49H35NO2/c1-49(2)39-21-10-8-17-33(39)34-27-26-31(28-40(34)49)50(42-23-12-20-37-35-18-9-11-24-43(35)52-48(37)42)41-22-13-25-44-47(41)46-36-19-7-6-16-32(36)38(29-45(46)51-44)30-14-4-3-5-15-30/h3-29,44,47H,1-2H3
InChIKeyPBFHRHYRGGHKGP-UHFFFAOYSA-N
MW669.82 g/mol
LogP12.85
Rot. Bonds4

About N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301593) has the molecular formula C49H35NO2 and a molecular weight of 669.82 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301593
Molecular FormulaC49H35NO2
Molecular Weight669.82 g/mol
Exact Mass669.27
IUPAC NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C49H35NO2/c1-49(2)39-21-10-8-17-33(39)34-27-26-31(28-40(34)49)50(42-23-12-20-37-35-18-9-11-24-43(35)52-48(37)42)41-22-13-25-44-47(41)46-36-19-7-6-16-32(36)38(29-45(46)51-44)30-14-4-3-5-15-30/h3-29,44,47H,1-2H3
InChIKeyPBFHRHYRGGHKGP-UHFFFAOYSA-N
XLogP12.85
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.82
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
CID 170301533
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89260922
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167402082
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine (CID 170301593) is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is PBFHRHYRGGHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO2/c1-49(2)39-21-10-8-17-33(39)34-27-26-31(28-40(34)49)50(42-23-12-20-37-35-18-9-11-24-43(35)52-48(37)42)41-22-13-25-44-47(41)46-36-19-7-6-16-32(36)38(29-45(46)51-44)30-14-4-3-5-15-30/h3-29,44,47H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 669.82 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).