N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

C53H37NO — CID 169285271

IUPACN-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C53H37NO/c1-53(2)44-33-30-35-16-6-7-19-41(35)50(44)43-23-12-25-46(52(43)53)54(45-24-13-27-48-51(45)42-20-8-9-26-47(42)55-48)38-31-28-36(29-32-38)40-22-11-18-37-17-10-21-39(49(37)40)34-14-4-3-5-15-34/h3-33H,1-2H3
InChIKeySGAGLNAMXOZEKU-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 169285271) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID169285271
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C53H37NO/c1-53(2)44-33-30-35-16-6-7-19-41(35)50(44)43-23-12-25-46(52(43)53)54(45-24-13-27-48-51(45)42-20-8-9-26-47(42)55-48)38-31-28-36(29-32-38)40-22-11-18-37-17-10-21-39(49(37)40)34-14-4-3-5-15-34/h3-33H,1-2H3
InChIKeySGAGLNAMXOZEKU-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 154605502
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
CID 122425655
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (CID 169285271) is N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccc3ccccc3c2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is SGAGLNAMXOZEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)44-33-30-35-16-6-7-19-41(35)50(44)43-23-12-25-46(52(43)53)54(45-24-13-27-48-51(45)42-20-8-9-26-47(42)55-48)38-31-28-36(29-32-38)40-22-11-18-37-17-10-21-39(49(37)40)34-14-4-3-5-15-34/h3-33H,1-2H3.
What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylbenzo[g]fluoren-8-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 169285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).