N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

C61H42N2O — CID 58510963

IUPACN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)54-36-42(41-27-34-58-53(35-41)50-18-8-10-20-57(50)63(58)44-15-4-3-5-16-44)25-31-48(54)49-33-30-46(38-55(49)61)62(56-21-12-14-40-13-6-7-17-47(40)56)45-28-23-39(24-29-45)43-26-32-52-51-19-9-11-22-59(51)64-60(52)37-43/h3-38H,1-2H3
InChIKeyVPZSVONTZDEMGI-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.95
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 58510963) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
PubChem CID58510963
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)54-36-42(41-27-34-58-53(35-41)50-18-8-10-20-57(50)63(58)44-15-4-3-5-16-44)25-31-48(54)49-33-30-46(38-55(49)61)62(56-21-12-14-40-13-6-7-17-47(40)56)45-28-23-39(24-29-45)43-26-32-52-51-19-9-11-22-59(51)64-60(52)37-43/h3-38H,1-2H3
InChIKeyVPZSVONTZDEMGI-UHFFFAOYSA-N
XLogP16.95
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 58510963) is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The InChIKey is VPZSVONTZDEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)54-36-42(41-27-34-58-53(35-41)50-18-8-10-20-57(50)63(58)44-15-4-3-5-16-44)25-31-48(54)49-33-30-46(38-55(49)61)62(56-21-12-14-40-13-6-7-17-47(40)56)45-28-23-39(24-29-45)43-26-32-52-51-19-9-11-22-59(51)64-60(52)37-43/h3-38H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 58510963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).