N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine

C49H35NO — CID 170535038

IUPACN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)43-20-7-5-18-41(43)48-44(49)21-11-22-45(48)50(36-27-24-33(25-28-36)39-19-10-13-32-12-3-4-16-38(32)39)37-15-9-14-34(30-37)35-26-29-47-42(31-35)40-17-6-8-23-46(40)51-47/h3-31H,1-2H3
InChIKeyTZFWNQNXDAIRBO-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine

N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine (PubChem CID 170535038) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
PubChem CID170535038
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)43-20-7-5-18-41(43)48-44(49)21-11-22-45(48)50(36-27-24-33(25-28-36)39-19-10-13-32-12-3-4-16-38(32)39)37-15-9-14-34(30-37)35-26-29-47-42(31-35)40-17-6-8-23-46(40)51-47/h3-31H,1-2H3
InChIKeyTZFWNQNXDAIRBO-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

9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170665631
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321549
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine
CID 167128721
N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 177274472
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine (CID 170535038) is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The InChIKey is TZFWNQNXDAIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-20-7-5-18-41(43)48-44(49)21-11-22-45(48)50(36-27-24-33(25-28-36)39-19-10-13-32-12-3-4-16-38(32)39)37-15-9-14-34(30-37)35-26-29-47-42(31-35)40-17-6-8-23-46(40)51-47/h3-31H,1-2H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-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-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 170535038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).