N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine

C53H39NO — CID 169022480

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6c(C7(C)c8ccccc8-c8ccccc87)cccc6c5c4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-52(2)45-20-10-7-16-39(45)42-30-26-35(32-49(42)52)34-24-27-37(28-25-34)54(36-14-5-4-6-15-36)38-29-31-50-44(33-38)43-19-13-23-48(51(43)55-50)53(3)46-21-11-8-17-40(46)41-18-9-12-22-47(41)53/h4-33H,1-3H3
InChIKeyAHJKMEJFMAXQJS-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.36
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine (PubChem CID 169022480) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
PubChem CID169022480
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6c(C7(C)c8ccccc8-c8ccccc87)cccc6c5c4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-52(2)45-20-10-7-16-39(45)42-30-26-35(32-49(42)52)34-24-27-37(28-25-34)54(36-14-5-4-6-15-36)38-29-31-50-44(33-38)43-19-13-23-48(51(43)55-50)53(3)46-21-11-8-17-40(46)41-18-9-12-22-47(41)53/h4-33H,1-3H3
InChIKeyAHJKMEJFMAXQJS-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 169022132
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine (CID 169022480) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6c(C7(C)c8ccccc8-c8ccccc87)cccc6c5c4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine?
The InChIKey is AHJKMEJFMAXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-52(2)45-20-10-7-16-39(45)42-30-26-35(32-49(42)52)34-24-27-37(28-25-34)54(36-14-5-4-6-15-36)38-29-31-50-44(33-38)43-19-13-23-48(51(43)55-50)53(3)46-21-11-8-17-40(46)41-18-9-12-22-47(41)53/h4-33H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine has a molecular weight of 705.90 g/mol, XLogP of 14.36, 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-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 169022480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).