N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine

C49H35NO — CID 129256099

IUPACN-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)45-28-22-34(29-44(45)41-26-21-35(30-46(41)49)40-17-10-12-33-11-6-7-15-39(33)40)32-19-23-37(24-20-32)50(36-13-4-3-5-14-36)38-25-27-43-42-16-8-9-18-47(42)51-48(43)31-38/h3-31H,1-2H3
InChIKeyDCTUYSLWEBWHPU-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine

N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 129256099) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID129256099
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C49H35NO/c1-49(2)45-28-22-34(29-44(45)41-26-21-35(30-46(41)49)40-17-10-12-33-11-6-7-15-39(33)40)32-19-23-37(24-20-32)50(36-13-4-3-5-14-36)38-25-27-43-42-16-8-9-18-47(42)51-48(43)31-38/h3-31H,1-2H3
InChIKeyDCTUYSLWEBWHPU-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
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-3-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161395009
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 129256099) is N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine is CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is DCTUYSLWEBWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)45-28-22-34(29-44(45)41-26-21-35(30-46(41)49)40-17-10-12-33-11-6-7-15-39(33)40)32-19-23-37(24-20-32)50(36-13-4-3-5-14-36)38-25-27-43-42-16-8-9-18-47(42)51-48(43)31-38/h3-31H,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 129256099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).