N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine

C54H40N2O — CID 126702918

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)cc2)cc13
InChIInChI=1S/C54H40N2O/c1-53(2)43-18-9-6-15-38(43)51-44(53)19-12-20-48(51)56(49-21-11-16-37-36-14-7-10-22-50(36)57-52(37)49)34-26-23-32(24-27-34)33-25-28-46-40(29-33)41-30-39-35-13-5-8-17-42(35)54(3,4)45(39)31-47(41)55-46/h5-31,55H,1-4H3
InChIKeyCNBUVTBZQJBLDY-UHFFFAOYSA-N
MW732.93 g/mol
LogP14.97
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 126702918) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID126702918
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)cc2)cc13
InChIInChI=1S/C54H40N2O/c1-53(2)43-18-9-6-15-38(43)51-44(53)19-12-20-48(51)56(49-21-11-16-37-36-14-7-10-22-50(36)57-52(37)49)34-26-23-32(24-27-34)33-25-28-46-40(29-33)41-30-39-35-13-5-8-17-42(35)54(3,4)45(39)31-47(41)55-46/h5-31,55H,1-4H3
InChIKeyCNBUVTBZQJBLDY-UHFFFAOYSA-N
XLogP14.97
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 514.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-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-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-[4-(9H-carbazol-3-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 162082223
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine (CID 126702918) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4oc4ccccc45)cc2)cc13.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is CNBUVTBZQJBLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-53(2)43-18-9-6-15-38(43)51-44(53)19-12-20-48(51)56(49-21-11-16-37-36-14-7-10-22-50(36)57-52(37)49)34-26-23-32(24-27-34)33-25-28-46-40(29-33)41-30-39-35-13-5-8-17-42(35)54(3,4)45(39)31-47(41)55-46/h5-31,55H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 732.93 g/mol, XLogP of 14.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 126702918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).