N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine

C63H43NO — CID 171453577

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C63H43NO/c1-62(44-17-5-2-6-18-44)56-26-14-11-23-50(56)52-37-34-48(40-58(52)62)64(49-35-38-55-54-25-13-16-28-60(54)65-61(55)41-49)47-32-29-42(30-33-47)43-31-36-53-51-24-12-15-27-57(51)63(59(53)39-43,45-19-7-3-8-20-45)46-21-9-4-10-22-46/h2-41H,1H3
InChIKeyZOXXHFGVGHKUGU-UHFFFAOYSA-N
MW830.04 g/mol
LogP16.42
Rot. Bonds7

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 171453577) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID171453577
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C63H43NO/c1-62(44-17-5-2-6-18-44)56-26-14-11-23-50(56)52-37-34-48(40-58(52)62)64(49-35-38-55-54-25-13-16-28-60(54)65-61(55)41-49)47-32-29-42(30-33-47)43-31-36-53-51-24-12-15-27-57(51)63(59(53)39-43,45-19-7-3-8-20-45)46-21-9-4-10-22-46/h2-41H,1H3
InChIKeyZOXXHFGVGHKUGU-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
CID 118214579
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 121400570
N-(9,9-dimethylfluoren-2-yl)-7-[7-[N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)anilino]-9,9-dimethylfluoren-2-yl]-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540137
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453273
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine
CID 88534208

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine (CID 171453577) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is ZOXXHFGVGHKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-62(44-17-5-2-6-18-44)56-26-14-11-23-50(56)52-37-34-48(40-58(52)62)64(49-35-38-55-54-25-13-16-28-60(54)65-61(55)41-49)47-32-29-42(30-33-47)43-31-36-53-51-24-12-15-27-57(51)63(59(53)39-43,45-19-7-3-8-20-45)46-21-9-4-10-22-46/h2-41H,1H3.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 830.04 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171453577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).