N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine

C45H33NO — CID 176583446

IUPACN-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C45H33NO/c1-45(2)39-26-24-31(30-14-5-3-6-15-30)28-37(39)38-29-33(25-27-40(38)45)46(32-16-7-4-8-17-32)41-21-11-9-18-34(41)35-20-13-23-43-44(35)36-19-10-12-22-42(36)47-43/h3-29H,1-2H3
InChIKeyFUPMUZGAYKFCLY-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds5

About N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine

N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine (PubChem CID 176583446) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
PubChem CID176583446
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C45H33NO/c1-45(2)39-26-24-31(30-14-5-3-6-15-30)28-37(39)38-29-33(25-27-40(38)45)46(32-16-7-4-8-17-32)41-21-11-9-18-34(41)35-20-13-23-43-44(35)36-19-10-12-22-42(36)47-43/h3-29H,1-2H3
InChIKeyFUPMUZGAYKFCLY-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine (CID 176583446) is N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3-c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine?
The InChIKey is FUPMUZGAYKFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)39-26-24-31(30-14-5-3-6-15-30)28-37(39)38-29-33(25-27-40(38)45)46(32-16-7-4-8-17-32)41-21-11-9-18-34(41)35-20-13-23-43-44(35)36-19-10-12-22-42(36)47-43/h3-29H,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine?
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine has a molecular weight of 603.77 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine is sourced from PubChem (CID 176583446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).