N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine

C61H40N2O — CID 121424440

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc32)cc1
InChIInChI=1S/C61H40N2O/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)53-24-11-7-23-52(53)60-54(61)25-15-28-57(60)62(45-33-30-41(31-34-45)42-32-39-51-50-22-10-14-29-58(50)64-59(51)40-42)46-35-37-47(38-36-46)63-55-26-12-8-20-48(55)49-21-9-13-27-56(49)63/h1-40H
InChIKeyNFPSIFVVCVCRHY-UHFFFAOYSA-N
MW817.00 g/mol
LogP16.18
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424440) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424440
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc32)cc1
InChIInChI=1S/C61H40N2O/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)53-24-11-7-23-52(53)60-54(61)25-15-28-57(60)62(45-33-30-41(31-34-45)42-32-39-51-50-22-10-14-29-58(50)64-59(51)40-42)46-35-37-47(38-36-46)63-55-26-12-8-20-48(55)49-21-9-13-27-56(49)63/h1-40H
InChIKeyNFPSIFVVCVCRHY-UHFFFAOYSA-N
XLogP16.18
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424440) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is NFPSIFVVCVCRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)53-24-11-7-23-52(53)60-54(61)25-15-28-57(60)62(45-33-30-41(31-34-45)42-32-39-51-50-22-10-14-29-58(50)64-59(51)40-42)46-35-37-47(38-36-46)63-55-26-12-8-20-48(55)49-21-9-13-27-56(49)63/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 817.00 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).