N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C91H68N2O2 — CID 146665917

IUPACN-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1CC=CC=C1c1ccc(N(c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5c(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7-c7ccccc7C8(C)C)cccc56)cc4)cc4c3oc3ccccc34)cc2)c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C91H68N2O2/c1-57-21-9-10-24-68(57)61-45-51-65(52-46-61)92(81-35-19-33-79-85(81)73-26-11-14-31-77(73)90(79,2)3)66-53-47-63(48-54-66)75-55-64(56-76-70-25-13-16-38-84(70)94-88(75)76)60-39-41-62(42-40-60)69-28-17-29-71-72-30-18-37-83(89(72)95-87(69)71)93(67-49-43-59(44-50-67)58-22-7-6-8-23-58)82-36-20-34-80-86(82)74-27-12-15-32-78(74)91(80,4)5/h6-20,22-57H,21H2,1-5H3
InChIKeyVZLXIYPIQSBUCF-UHFFFAOYSA-N
MW1221.56 g/mol
LogP25.68
Rot. Bonds11

About N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 146665917) has the molecular formula C91H68N2O2 and a molecular weight of 1221.56 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID146665917
Molecular FormulaC91H68N2O2
Molecular Weight1221.56 g/mol
Exact Mass1220.53
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1CC=CC=C1c1ccc(N(c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5c(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7-c7ccccc7C8(C)C)cccc56)cc4)cc4c3oc3ccccc34)cc2)c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C91H68N2O2/c1-57-21-9-10-24-68(57)61-45-51-65(52-46-61)92(81-35-19-33-79-85(81)73-26-11-14-31-77(73)90(79,2)3)66-53-47-63(48-54-66)75-55-64(56-76-70-25-13-16-38-84(70)94-88(75)76)60-39-41-62(42-40-60)69-28-17-29-71-72-30-18-37-83(89(72)95-87(69)71)93(67-49-43-59(44-50-67)58-22-7-6-8-23-58)82-36-20-34-80-86(82)74-27-12-15-32-78(74)91(80,4)5/h6-20,22-57H,21H2,1-5H3
InChIKeyVZLXIYPIQSBUCF-UHFFFAOYSA-N
XLogP25.68
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.56
LogP ≤ 525.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
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-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544887
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 146665917) is N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1CC=CC=C1c1ccc(N(c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5c(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7-c7ccccc7C8(C)C)cccc56)cc4)cc4c3oc3ccccc34)cc2)c2cccc3c2-c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is VZLXIYPIQSBUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H68N2O2/c1-57-21-9-10-24-68(57)61-45-51-65(52-46-61)92(81-35-19-33-79-85(81)73-26-11-14-31-77(73)90(79,2)3)66-53-47-63(48-54-66)75-55-64(56-76-70-25-13-16-38-84(70)94-88(75)76)60-39-41-62(42-40-60)69-28-17-29-71-72-30-18-37-83(89(72)95-87(69)71)93(67-49-43-59(44-50-67)58-22-7-6-8-23-58)82-36-20-34-80-86(82)74-27-12-15-32-78(74)91(80,4)5/h6-20,22-57H,21H2,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 1221.56 g/mol, XLogP of 25.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-6-[4-[4-[4-[N-(9,9-dimethylfluoren-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)anilino]phenyl]dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 146665917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).