9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C70H49NO — CID 164724626

IUPAC9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc21
InChIInChI=1S/C70H49NO/c1-69(2)63-28-12-9-21-57(63)60-44-43-54(45-66(60)69)71(52-39-33-47(34-40-52)46-17-5-3-6-18-46)53-41-35-49(36-42-53)56-25-16-27-62-61-26-15-24-55(67(61)72-68(56)62)48-31-37-51(38-32-48)70(50-19-7-4-8-20-50)64-29-13-10-22-58(64)59-23-11-14-30-65(59)70/h3-45H,1-2H3
InChIKeyCSKILOQTNDRIBC-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds8

About 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 164724626) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID164724626
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC Name9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc21
InChIInChI=1S/C70H49NO/c1-69(2)63-28-12-9-21-57(63)60-44-43-54(45-66(60)69)71(52-39-33-47(34-40-52)46-17-5-3-6-18-46)53-41-35-49(36-42-53)56-25-16-27-62-61-26-15-24-55(67(61)72-68(56)62)48-31-37-51(38-32-48)70(50-19-7-4-8-20-50)64-29-13-10-22-58(64)59-23-11-14-30-65(59)70/h3-45H,1-2H3
InChIKeyCSKILOQTNDRIBC-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160965633

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 164724626) is 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is CSKILOQTNDRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)63-28-12-9-21-57(63)60-44-43-54(45-66(60)69)71(52-39-33-47(34-40-52)46-17-5-3-6-18-46)53-41-35-49(36-42-53)56-25-16-27-62-61-26-15-24-55(67(61)72-68(56)62)48-31-37-51(38-32-48)70(50-19-7-4-8-20-50)64-29-13-10-22-58(64)59-23-11-14-30-65(59)70/h3-45H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164724626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).