N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine

C80H52N10O — CID 147552831

IUPACN-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine
SMILESc1cc(N(c2ccc(Oc3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)n4)c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C80H52N10O/c1-9-29-65-57(21-1)58-22-2-10-30-66(58)87(65)77-41-17-37-73(81-77)85(74-38-18-42-78(82-74)88-67-31-11-3-23-59(67)60-24-4-12-32-68(60)88)53-45-49-55(50-46-53)91-56-51-47-54(48-52-56)86(75-39-19-43-79(83-75)89-69-33-13-5-25-61(69)62-26-6-14-34-70(62)89)76-40-20-44-80(84-76)90-71-35-15-7-27-63(71)64-28-8-16-36-72(64)90/h1-52H
InChIKeyFRCJOWPMKMSQSI-UHFFFAOYSA-N
MW1169.37 g/mol
LogP20.39
Rot. Bonds12

About N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine

N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine (PubChem CID 147552831) has the molecular formula C80H52N10O and a molecular weight of 1169.37 g/mol. Its IUPAC name is N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine
PubChem CID147552831
Molecular FormulaC80H52N10O
Molecular Weight1169.37 g/mol
Exact Mass1168.43
IUPAC NameN-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine
SMILESc1cc(N(c2ccc(Oc3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)n4)c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C80H52N10O/c1-9-29-65-57(21-1)58-22-2-10-30-66(58)87(65)77-41-17-37-73(81-77)85(74-38-18-42-78(82-74)88-67-31-11-3-23-59(67)60-24-4-12-32-68(60)88)53-45-49-55(50-46-53)91-56-51-47-54(48-52-56)86(75-39-19-43-79(83-75)89-69-33-13-5-25-61(69)62-26-6-14-34-70(62)89)76-40-20-44-80(84-76)90-71-35-15-7-27-63(71)64-28-8-16-36-72(64)90/h1-52H
InChIKeyFRCJOWPMKMSQSI-UHFFFAOYSA-N
XLogP20.39
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.37
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine with MolForge

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Related Compounds

9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
N-(4-carbazol-9-ylphenyl)-6-[[6-(N-(4-carbazol-9-ylphenyl)anilino)-2-pyridinyl]-phenylphosphoryl]-N-phenylpyridin-2-amine
CID 58518314
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
CID 118504606
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
CID 165047384
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
CID 58518415
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
CID 153432020
9-[2-carbazol-9-yl-6-(4-iodophenoxy)pyrimidin-4-yl]carbazole
CID 58609369

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine (CID 147552831) is N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine is c1cc(N(c2ccc(Oc3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)n4)c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine?
The InChIKey is FRCJOWPMKMSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N10O/c1-9-29-65-57(21-1)58-22-2-10-30-66(58)87(65)77-41-17-37-73(81-77)85(74-38-18-42-78(82-74)88-67-31-11-3-23-59(67)60-24-4-12-32-68(60)88)53-45-49-55(50-46-53)91-56-51-47-54(48-52-56)86(75-39-19-43-79(83-75)89-69-33-13-5-25-61(69)62-26-6-14-34-70(62)89)76-40-20-44-80(84-76)90-71-35-15-7-27-63(71)64-28-8-16-36-72(64)90/h1-52H.
What are the key properties of N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine?
N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine has a molecular weight of 1169.37 g/mol, XLogP of 20.39, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis(6-carbazol-9-yl-2-pyridinyl)amino]phenoxy]phenyl]-6-carbazol-9-yl-N-(6-carbazol-9-yl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 147552831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).