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

C60H45NO — CID 170666178

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C60H45NO/c1-59(2)49-25-11-9-20-43(49)48-37-40(33-36-51(48)59)38-31-34-41(35-32-38)61(53-28-16-30-55-57(53)47-21-10-13-29-54(47)62-55)52-27-15-22-44(56(52)39-17-6-5-7-18-39)46-24-14-23-45-42-19-8-12-26-50(42)60(3,4)58(45)46/h5-37H,1-4H3
InChIKeyTTWNJTMFKHAWFX-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

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

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine (PubChem CID 170666178) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
PubChem CID170666178
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc21
InChIInChI=1S/C60H45NO/c1-59(2)49-25-11-9-20-43(49)48-37-40(33-36-51(48)59)38-31-34-41(35-32-38)61(53-28-16-30-55-57(53)47-21-10-13-29-54(47)62-55)52-27-15-22-44(56(52)39-17-6-5-7-18-39)46-24-14-23-45-42-19-8-12-26-50(42)60(3,4)58(45)46/h5-37H,1-4H3
InChIKeyTTWNJTMFKHAWFX-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
CID 176763185
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 159530735
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine (CID 170666178) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4-c4ccccc4)c4cccc5oc6ccccc6c45)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine?
The InChIKey is TTWNJTMFKHAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)49-25-11-9-20-43(49)48-37-40(33-36-51(48)59)38-31-34-41(35-32-38)61(53-28-16-30-55-57(53)47-21-10-13-29-54(47)62-55)52-27-15-22-44(56(52)39-17-6-5-7-18-39)46-24-14-23-45-42-19-8-12-26-50(42)60(3,4)58(45)46/h5-37H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine has a molecular weight of 796.03 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170666178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).