N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine

C66H51NO — CID 156827268

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)C4CC=CC=C54)cc3)cc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c21
InChIInChI=1S/C66H51NO/c1-65(2)59-27-13-11-23-52(59)53-35-34-50(41-61(53)65)67(49-22-15-21-46(37-49)51-25-16-26-55-54-24-12-14-28-62(54)68-64(51)55)48-32-29-43(30-33-48)45-31-36-60-57(38-45)58-40-47(42-17-7-5-8-18-42)39-56(63(58)66(60,3)4)44-19-9-6-10-20-44/h5-26,28-41,59H,27H2,1-4H3
InChIKeySKNUAETXARAHHN-UHFFFAOYSA-N
MW874.14 g/mol
LogP18.28
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine (PubChem CID 156827268) has the molecular formula C66H51NO and a molecular weight of 874.14 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
PubChem CID156827268
Molecular FormulaC66H51NO
Molecular Weight874.14 g/mol
Exact Mass873.40
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
SMILESCC1(C)c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)C4CC=CC=C54)cc3)cc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c21
InChIInChI=1S/C66H51NO/c1-65(2)59-27-13-11-23-52(59)53-35-34-50(41-61(53)65)67(49-22-15-21-46(37-49)51-25-16-26-55-54-24-12-14-28-62(54)68-64(51)55)48-32-29-43(30-33-48)45-31-36-60-57(38-45)58-40-47(42-17-7-5-8-18-42)39-56(63(58)66(60,3)4)44-19-9-6-10-20-44/h5-26,28-41,59H,27H2,1-4H3
InChIKeySKNUAETXARAHHN-UHFFFAOYSA-N
XLogP18.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.14
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine with MolForge

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Related Compounds

3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-8-phenyl-6-(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-5-phenylaniline;4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 160608389
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171732084
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
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
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine (CID 156827268) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine is CC1(C)c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)C4CC=CC=C54)cc3)cc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?
The InChIKey is SKNUAETXARAHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51NO/c1-65(2)59-27-13-11-23-52(59)53-35-34-50(41-61(53)65)67(49-22-15-21-46(37-49)51-25-16-26-55-54-24-12-14-28-62(54)68-64(51)55)48-32-29-43(30-33-48)45-31-36-60-57(38-45)58-40-47(42-17-7-5-8-18-42)39-56(63(58)66(60,3)4)44-19-9-6-10-20-44/h5-26,28-41,59H,27H2,1-4H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine has a molecular weight of 874.14 g/mol, XLogP of 18.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 156827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).