N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine

C53H37NO — CID 170413017

IUPACN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)48-21-10-8-20-45(48)51-46(32-38-15-6-7-18-43(38)52(51)53)39-24-23-37-31-41(26-25-36(37)29-39)54(40-17-12-16-35(30-40)34-13-4-3-5-14-34)42-27-28-50-47(33-42)44-19-9-11-22-49(44)55-50/h3-33H,1-2H3
InChIKeyCRGUVJTYMZAALX-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine

N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170413017) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID170413017
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)48-21-10-8-20-45(48)51-46(32-38-15-6-7-18-43(38)52(51)53)39-24-23-37-31-41(26-25-36(37)29-39)54(40-17-12-16-35(30-40)34-13-4-3-5-14-34)42-27-28-50-47(33-42)44-19-9-11-22-49(44)55-50/h3-33H,1-2H3
InChIKeyCRGUVJTYMZAALX-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-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
CID 170412879
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170412936
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 170412726
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
CID 170412884
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503

Frequently Asked Questions

What is the IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 170413017) is N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)ccc4c3)cc3ccccc3c21.
What is the InChIKey of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is CRGUVJTYMZAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)48-21-10-8-20-45(48)51-46(32-38-15-6-7-18-43(38)52(51)53)39-24-23-37-31-41(26-25-36(37)29-39)54(40-17-12-16-35(30-40)34-13-4-3-5-14-34)42-27-28-50-47(33-42)44-19-9-11-22-49(44)55-50/h3-33H,1-2H3.
What are the key properties of N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-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-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170413017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).