N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine

C57H40N2O — CID 138484980

IUPACN-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c34)c21
InChIInChI=1S/C57H40N2O/c1-57(2)46-27-12-9-23-42(46)44-26-15-31-51(56(44)57)59(47-28-13-10-22-40(47)37-18-5-3-6-19-37)50-30-17-33-53-55(50)54-41(25-16-32-52(54)60-53)38-34-35-49-45(36-38)43-24-11-14-29-48(43)58(49)39-20-7-4-8-21-39/h3-36H,1-2H3
InChIKeyBCDHHCLLPHTANY-UHFFFAOYSA-N
MW768.96 g/mol
LogP15.79
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 138484980) has the molecular formula C57H40N2O and a molecular weight of 768.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID138484980
Molecular FormulaC57H40N2O
Molecular Weight768.96 g/mol
Exact Mass768.31
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c34)c21
InChIInChI=1S/C57H40N2O/c1-57(2)46-27-12-9-23-42(46)44-26-15-31-51(56(44)57)59(47-28-13-10-22-40(47)37-18-5-3-6-19-37)50-30-17-33-53-55(50)54-41(25-16-32-52(54)60-53)38-34-35-49-45(36-38)43-24-11-14-29-48(43)58(49)39-20-7-4-8-21-39/h3-36H,1-2H3
InChIKeyBCDHHCLLPHTANY-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
N-[4-[9,9-dimethyl-4-(9-phenylcarbazol-3-yl)fluoren-1-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193688
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358604
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine;N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
CID 162176286
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
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060930
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818
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-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine (CID 138484980) is N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3ccccc3)c3cccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c34)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is BCDHHCLLPHTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-57(2)46-27-12-9-23-42(46)44-26-15-31-51(56(44)57)59(47-28-13-10-22-40(47)37-18-5-3-6-19-37)50-30-17-33-53-55(50)54-41(25-16-32-52(54)60-53)38-34-35-49-45(36-38)43-24-11-14-29-48(43)58(49)39-20-7-4-8-21-39/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 768.96 g/mol, XLogP of 15.79, 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-1-yl)-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 138484980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).