3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine

C69H49N3O — CID 134275240

IUPAC3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cccc21
InChIInChI=1S/C69H49N3O/c1-69(2)60-33-18-15-31-56(60)65-61(69)34-21-36-63(65)71(52-40-38-47(39-41-52)46-22-7-3-8-23-46)54-43-48(42-53(44-54)70(49-24-9-4-10-25-49)50-26-11-5-12-27-50)58-45-59-55-30-16-19-35-62(55)72(51-28-13-6-14-29-51)67(59)66-57-32-17-20-37-64(57)73-68(58)66/h3-45H,1-2H3
InChIKeyISPNZDKFSZDCPG-UHFFFAOYSA-N
MW936.17 g/mol
LogP19.26
Rot. Bonds9

About 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 134275240) has the molecular formula C69H49N3O and a molecular weight of 936.17 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID134275240
Molecular FormulaC69H49N3O
Molecular Weight936.17 g/mol
Exact Mass935.39
IUPAC Name3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cccc21
InChIInChI=1S/C69H49N3O/c1-69(2)60-33-18-15-31-56(60)65-61(69)34-21-36-63(65)71(52-40-38-47(39-41-52)46-22-7-3-8-23-46)54-43-48(42-53(44-54)70(49-24-9-4-10-25-49)50-26-11-5-12-27-50)58-45-59-55-30-16-19-35-62(55)72(51-28-13-6-14-29-51)67(59)66-57-32-17-20-37-64(57)73-68(58)66/h3-45H,1-2H3
InChIKeyISPNZDKFSZDCPG-UHFFFAOYSA-N
XLogP19.26
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.17
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine 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

5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 162465047
3-N-phenanthren-1-yl-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)benzene-1,3-diamine
CID 162465032
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164965639
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 165004537
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
4-[3-[3-[9-(4-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-4-yl)anilino)dibenzofuran-2-yl]carbazol-9-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155120194
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine (CID 134275240) is 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cccc21.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is ISPNZDKFSZDCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3O/c1-69(2)60-33-18-15-31-56(60)65-61(69)34-21-36-63(65)71(52-40-38-47(39-41-52)46-22-7-3-8-23-46)54-43-48(42-53(44-54)70(49-24-9-4-10-25-49)50-26-11-5-12-27-50)58-45-59-55-30-16-19-35-62(55)72(51-28-13-6-14-29-51)67(59)66-57-32-17-20-37-64(57)73-68(58)66/h3-45H,1-2H3.
What are the key properties of 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 936.17 g/mol, XLogP of 19.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 134275240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).