N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

C51H37NO — CID 170119768

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-26-13-10-25-42(44)50-45(51)27-16-29-47(50)52(35-31-32-49-43(33-35)41-24-12-15-30-48(41)53-49)46-28-14-11-23-40(46)39-22-9-8-21-38(39)37-20-7-6-19-36(37)34-17-4-3-5-18-34/h3-33H,1-2H3
InChIKeyDVUYXSBGNHUQDU-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 170119768) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID170119768
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-26-13-10-25-42(44)50-45(51)27-16-29-47(50)52(35-31-32-49-43(33-35)41-24-12-15-30-48(41)53-49)46-28-14-11-23-40(46)39-22-9-8-21-38(39)37-20-7-6-19-36(37)34-17-4-3-5-18-34/h3-33H,1-2H3
InChIKeyDVUYXSBGNHUQDU-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (CID 170119768) is N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is DVUYXSBGNHUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)44-26-13-10-25-42(44)50-45(51)27-16-29-47(50)52(35-31-32-49-43(33-35)41-24-12-15-30-48(41)53-49)46-28-14-11-23-40(46)39-22-9-8-21-38(39)37-20-7-6-19-36(37)34-17-4-3-5-18-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170119768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).