3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine

C70H48N2O2 — CID 153124370

IUPAC3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(C)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C70H48N2O2/c1-69(45-19-5-3-6-20-45)59-29-13-9-25-52(59)56-42-49(35-38-61(56)69)71(50-37-40-66-58(44-50)54-27-11-15-32-64(54)73-66)47-23-17-24-48(41-47)72(63-31-18-34-67-68(63)55-28-12-16-33-65(55)74-67)51-36-39-62-57(43-51)53-26-10-14-30-60(53)70(62,2)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyVVMPOEPGZCGSPN-UHFFFAOYSA-N
MW949.17 g/mol
LogP19.09
Rot. Bonds8

About 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine

3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine (PubChem CID 153124370) has the molecular formula C70H48N2O2 and a molecular weight of 949.17 g/mol. Its IUPAC name is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine
PubChem CID153124370
Molecular FormulaC70H48N2O2
Molecular Weight949.17 g/mol
Exact Mass948.37
IUPAC Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(C)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C70H48N2O2/c1-69(45-19-5-3-6-20-45)59-29-13-9-25-52(59)56-42-49(35-38-61(56)69)71(50-37-40-66-58(44-50)54-27-11-15-32-64(54)73-66)47-23-17-24-48(41-47)72(63-31-18-34-67-68(63)55-28-12-16-33-65(55)74-67)51-36-39-62-57(43-51)53-26-10-14-30-60(53)70(62,2)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyVVMPOEPGZCGSPN-UHFFFAOYSA-N
XLogP19.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.17
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119205
N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
CID 163943702
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine (CID 153124370) is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(C)c4ccccc4)c4cccc5oc6ccccc6c45)c3)c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine?
The InChIKey is VVMPOEPGZCGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O2/c1-69(45-19-5-3-6-20-45)59-29-13-9-25-52(59)56-42-49(35-38-61(56)69)71(50-37-40-66-58(44-50)54-27-11-15-32-64(54)73-66)47-23-17-24-48(41-47)72(63-31-18-34-67-68(63)55-28-12-16-33-65(55)74-67)51-36-39-62-57(43-51)53-26-10-14-30-60(53)70(62,2)46-21-7-4-8-22-46/h3-44H,1-2H3.
What are the key properties of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine?
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine has a molecular weight of 949.17 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 153124370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).