N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C70H49NO — CID 164724652

IUPACN-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C70H49NO/c1-69(2)62-33-15-12-27-54(62)56-43-41-52(45-64(56)69)71(65-35-17-14-26-53(65)47-20-6-3-7-21-47)51-39-36-46(37-40-51)48-38-42-57-60-31-19-32-61(68(60)72-66(57)44-48)59-30-18-29-58-55-28-13-16-34-63(55)70(67(58)59,49-22-8-4-9-23-49)50-24-10-5-11-25-50/h3-45H,1-2H3
InChIKeyAROPBPSFQBBUIR-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds8

About N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 164724652) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID164724652
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC NameN-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C70H49NO/c1-69(2)62-33-15-12-27-54(62)56-43-41-52(45-64(56)69)71(65-35-17-14-26-53(65)47-20-6-3-7-21-47)51-39-36-46(37-40-51)48-38-42-57-60-31-19-32-61(68(60)72-66(57)44-48)59-30-18-29-58-55-28-13-16-34-63(55)70(67(58)59,49-22-8-4-9-23-49)50-24-10-5-11-25-50/h3-45H,1-2H3
InChIKeyAROPBPSFQBBUIR-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-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-phenyl-2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 158833569
N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 159184387
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050377
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 158377953
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 164724652) is N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cccc45)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is AROPBPSFQBBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)62-33-15-12-27-54(62)56-43-41-52(45-64(56)69)71(65-35-17-14-26-53(65)47-20-6-3-7-21-47)51-39-36-46(37-40-51)48-38-42-57-60-31-19-32-61(68(60)72-66(57)44-48)59-30-18-29-58-55-28-13-16-34-63(55)70(67(58)59,49-22-8-4-9-23-49)50-24-10-5-11-25-50/h3-45H,1-2H3.
What are the key properties of N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-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 N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164724652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).