6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine

C60H37N9O — CID 129089097

IUPAC6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-c4ccnc(-c5cccnc5)c4)cnc23)cc1
InChIInChI=1S/C60H37N9O/c1-3-13-41(14-4-1)67(42-15-5-2-6-16-42)43-21-23-51-46(32-43)47-33-44(68-53-17-7-9-19-55(53)70-56-20-10-8-18-54(56)68)22-24-52(47)69(51)45-34-49-58-57(63-28-29-64-58)48-30-40(36-65-59(48)60(49)66-37-45)38-25-27-62-50(31-38)39-12-11-26-61-35-39/h1-37H
InChIKeyMLNBXLAZGBHFTR-UHFFFAOYSA-N
MW900.02 g/mol
LogP14.99
Rot. Bonds7

About 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine

6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine (PubChem CID 129089097) has the molecular formula C60H37N9O and a molecular weight of 900.02 g/mol. Its IUPAC name is 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine.

Molecular Properties

Compound Name6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine
PubChem CID129089097
Molecular FormulaC60H37N9O
Molecular Weight900.02 g/mol
Exact Mass899.31
IUPAC Name6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-c4ccnc(-c5cccnc5)c4)cnc23)cc1
InChIInChI=1S/C60H37N9O/c1-3-13-41(14-4-1)67(42-15-5-2-6-16-42)43-21-23-51-46(32-43)47-33-44(68-53-17-7-9-19-55(53)70-56-20-10-8-18-54(56)68)22-24-52(47)69(51)45-34-49-58-57(63-28-29-64-58)48-30-40(36-65-59(48)60(49)66-37-45)38-25-27-62-50(31-38)39-12-11-26-61-35-39/h1-37H
InChIKeyMLNBXLAZGBHFTR-UHFFFAOYSA-N
XLogP14.99
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.02
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine?
The IUPAC name of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine (CID 129089097) is 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine.
What is the SMILES notation for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine?
The canonical SMILES for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-c4ccnc(-c5cccnc5)c4)cnc23)cc1.
What is the InChIKey of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine?
The InChIKey is MLNBXLAZGBHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N9O/c1-3-13-41(14-4-1)67(42-15-5-2-6-16-42)43-21-23-51-46(32-43)47-33-44(68-53-17-7-9-19-55(53)70-56-20-10-8-18-54(56)68)22-24-52(47)69(51)45-34-49-58-57(63-28-29-64-58)48-30-40(36-65-59(48)60(49)66-37-45)38-25-27-62-50(31-38)39-12-11-26-61-35-39/h1-37H.
What are the key properties of 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine?
6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine has a molecular weight of 900.02 g/mol, XLogP of 14.99, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-amine is sourced from PubChem (CID 129089097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).