9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine

C55H37N3O2 — CID 166974866

IUPAC9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cc5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C55H37N3O2/c1-55(2)45-22-12-9-19-40(45)41-30-29-39(33-46(41)55)58(37-17-7-4-8-18-37)38-27-25-34(26-28-38)44-31-36(32-49-50(44)42-20-10-13-23-47(42)59-49)54-56-51(35-15-5-3-6-16-35)53-52(57-54)43-21-11-14-24-48(43)60-53/h3-33H,1-2H3
InChIKeyDEGJTOIBCXCXIY-UHFFFAOYSA-N
MW771.92 g/mol
LogP15.05
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine (PubChem CID 166974866) has the molecular formula C55H37N3O2 and a molecular weight of 771.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
PubChem CID166974866
Molecular FormulaC55H37N3O2
Molecular Weight771.92 g/mol
Exact Mass771.29
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cc5oc6ccccc6c45)cc3)cc21
InChIInChI=1S/C55H37N3O2/c1-55(2)45-22-12-9-19-40(45)41-30-29-39(33-46(41)55)58(37-17-7-4-8-18-37)38-27-25-34(26-28-38)44-31-36(32-49-50(44)42-20-10-13-23-47(42)59-49)54-56-51(35-15-5-3-6-16-35)53-52(57-54)43-21-11-14-24-48(43)60-53/h3-33H,1-2H3
InChIKeyDEGJTOIBCXCXIY-UHFFFAOYSA-N
XLogP15.05
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.92
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176765100
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 174328262
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine (CID 166974866) is 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)cc5oc6ccccc6c45)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine?
The InChIKey is DEGJTOIBCXCXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O2/c1-55(2)45-22-12-9-19-40(45)41-30-29-39(33-46(41)55)58(37-17-7-4-8-18-37)38-27-25-34(26-28-38)44-31-36(32-49-50(44)42-20-10-13-23-47(42)59-49)54-56-51(35-15-5-3-6-16-35)53-52(57-54)43-21-11-14-24-48(43)60-53/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine has a molecular weight of 771.92 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 166974866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).