N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine

C66H48N2O — CID 138577308

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C66H48N2O/c1-65(2)51-25-11-8-20-47(51)63-53(65)27-16-31-57(63)68(58-32-17-28-54-64(58)48-21-9-12-26-52(48)66(54,3)4)44-37-34-41(35-38-44)45-24-15-33-60-62(45)50-40-42(36-39-59(50)69-60)46-23-14-30-56-61(46)49-22-10-13-29-55(49)67(56)43-18-6-5-7-19-43/h5-40H,1-4H3
InChIKeyNOHVJZNNIZEHAZ-UHFFFAOYSA-N
MW885.12 g/mol
LogP18.10
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine (PubChem CID 138577308) has the molecular formula C66H48N2O and a molecular weight of 885.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
PubChem CID138577308
Molecular FormulaC66H48N2O
Molecular Weight885.12 g/mol
Exact Mass884.38
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C66H48N2O/c1-65(2)51-25-11-8-20-47(51)63-53(65)27-16-31-57(63)68(58-32-17-28-54-64(58)48-21-9-12-26-52(48)66(54,3)4)44-37-34-41(35-38-44)45-24-15-33-60-62(45)50-40-42(36-39-59(50)69-60)46-23-14-30-56-61(46)49-22-10-13-29-55(49)67(56)43-18-6-5-7-19-43/h5-40H,1-4H3
InChIKeyNOHVJZNNIZEHAZ-UHFFFAOYSA-N
XLogP18.10
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.12
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138577627
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
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)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine (CID 138577308) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)cc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine?
The InChIKey is NOHVJZNNIZEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O/c1-65(2)51-25-11-8-20-47(51)63-53(65)27-16-31-57(63)68(58-32-17-28-54-64(58)48-21-9-12-26-52(48)66(54,3)4)44-37-34-41(35-38-44)45-24-15-33-60-62(45)50-40-42(36-39-59(50)69-60)46-23-14-30-56-61(46)49-22-10-13-29-55(49)67(56)43-18-6-5-7-19-43/h5-40H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine has a molecular weight of 885.12 g/mol, XLogP of 18.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine is sourced from PubChem (CID 138577308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).