N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine

C64H44N4O — CID 59413548

IUPACN-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5cnc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C64H44N4O/c1-69-52-38-36-50(37-39-52)67(60-27-13-15-43-14-2-3-18-53(43)60)49-34-30-47(31-35-49)64(58-23-8-4-19-54(58)55-20-5-9-24-59(55)64)48-17-12-16-45(40-48)46-41-65-63(66-42-46)44-28-32-51(33-29-44)68-61-25-10-6-21-56(61)57-22-7-11-26-62(57)68/h2-42H,1H3
InChIKeyFNCJMXYVBLFVNO-UHFFFAOYSA-N
MW885.08 g/mol
LogP15.90
Rot. Bonds9

About N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine

N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (PubChem CID 59413548) has the molecular formula C64H44N4O and a molecular weight of 885.08 g/mol. Its IUPAC name is N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
PubChem CID59413548
Molecular FormulaC64H44N4O
Molecular Weight885.08 g/mol
Exact Mass884.35
IUPAC NameN-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
SMILESCOc1ccc(N(c2ccc(C3(c4cccc(-c5cnc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C64H44N4O/c1-69-52-38-36-50(37-39-52)67(60-27-13-15-43-14-2-3-18-53(43)60)49-34-30-47(31-35-49)64(58-23-8-4-19-54(58)55-20-5-9-24-59(55)64)48-17-12-16-45(40-48)46-41-65-63(66-42-46)44-28-32-51(33-29-44)68-61-25-10-6-21-56(61)57-22-7-11-26-62(57)68/h2-42H,1H3
InChIKeyFNCJMXYVBLFVNO-UHFFFAOYSA-N
XLogP15.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (CID 59413548) is N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5cnc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
The InChIKey is FNCJMXYVBLFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4O/c1-69-52-38-36-50(37-39-52)67(60-27-13-15-43-14-2-3-18-53(43)60)49-34-30-47(31-35-49)64(58-23-8-4-19-54(58)55-20-5-9-24-59(55)64)48-17-12-16-45(40-48)46-41-65-63(66-42-46)44-28-32-51(33-29-44)68-61-25-10-6-21-56(61)57-22-7-11-26-62(57)68/h2-42H,1H3.
What are the key properties of N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?
N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine has a molecular weight of 885.08 g/mol, XLogP of 15.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[3-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is sourced from PubChem (CID 59413548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).