1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine

C65H42N2O — CID 166050911

IUPAC1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2Cc2ccccc2-3)c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C65H42N2O/c1-3-17-42(18-4-1)48-23-9-12-28-56(48)66(58-30-15-26-50-47-22-8-7-21-46(47)41-55(50)58)59-39-35-44-34-38-54-60(40-36-45-33-37-53(59)63(44)64(45)54)67(57-29-13-10-24-49(57)43-19-5-2-6-20-43)61-31-16-27-52-51-25-11-14-32-62(51)68-65(52)61/h1-40H,41H2
InChIKeyRXFBAFWRGGGBIA-UHFFFAOYSA-N
MW867.06 g/mol
LogP18.33
Rot. Bonds8

About 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine

1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine (PubChem CID 166050911) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
PubChem CID166050911
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2Cc2ccccc2-3)c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C65H42N2O/c1-3-17-42(18-4-1)48-23-9-12-28-56(48)66(58-30-15-26-50-47-22-8-7-21-46(47)41-55(50)58)59-39-35-44-34-38-54-60(40-36-45-33-37-53(59)63(44)64(45)54)67(57-29-13-10-24-49(57)43-19-5-2-6-20-43)61-31-16-27-52-51-25-11-14-32-62(51)68-65(52)61/h1-40H,41H2
InChIKeyRXFBAFWRGGGBIA-UHFFFAOYSA-N
XLogP18.33
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262521
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine
CID 165094835
N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423485
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
6-N-dibenzofuran-4-yl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N-dibenzofuran-4-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-6-N-phenyl-1-N-(2-phenylphenyl)pyrene-1,6-diamine;6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenyl-1-N-(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158167430
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine (CID 166050911) is 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine is c1ccc(-c2ccccc2N(c2cccc3c2Cc2ccccc2-3)c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)cc1.
What is the InChIKey of 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine?
The InChIKey is RXFBAFWRGGGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-3-17-42(18-4-1)48-23-9-12-28-56(48)66(58-30-15-26-50-47-22-8-7-21-46(47)41-55(50)58)59-39-35-44-34-38-54-60(40-36-45-33-37-53(59)63(44)64(45)54)67(57-29-13-10-24-49(57)43-19-5-2-6-20-43)61-31-16-27-52-51-25-11-14-32-62(51)68-65(52)61/h1-40H,41H2.
What are the key properties of 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine?
1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine has a molecular weight of 867.06 g/mol, XLogP of 18.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 166050911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).