10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine

C52H32N6O2 — CID 58570103

IUPAC10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine
SMILESc1cc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(N6c7ccccc7Oc7ccccc76)n5)c4c32)c1
InChIInChI=1S/C52H32N6O2/c1-3-17-37-33(15-1)35-31-32-36-34-16-2-4-18-38(34)58(50-30-14-28-48(54-50)56-41-21-7-11-25-45(41)60-46-26-12-8-22-42(46)56)52(36)51(35)57(37)49-29-13-27-47(53-49)55-39-19-5-9-23-43(39)59-44-24-10-6-20-40(44)55/h1-32H
InChIKeyNMEVTUNJYMEOTL-UHFFFAOYSA-N
MW772.87 g/mol
LogP13.82
Rot. Bonds4

About 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine

10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine (PubChem CID 58570103) has the molecular formula C52H32N6O2 and a molecular weight of 772.87 g/mol. Its IUPAC name is 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine
PubChem CID58570103
Molecular FormulaC52H32N6O2
Molecular Weight772.87 g/mol
Exact Mass772.26
IUPAC Name10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine
SMILESc1cc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(N6c7ccccc7Oc7ccccc76)n5)c4c32)c1
InChIInChI=1S/C52H32N6O2/c1-3-17-37-33(15-1)35-31-32-36-34-16-2-4-18-38(34)58(50-30-14-28-48(54-50)56-41-21-7-11-25-45(41)60-46-26-12-8-22-42(46)56)52(36)51(35)57(37)49-29-13-27-47(53-49)55-39-19-5-9-23-43(39)59-44-24-10-6-20-40(44)55/h1-32H
InChIKeyNMEVTUNJYMEOTL-UHFFFAOYSA-N
XLogP13.82
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.87
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine (CID 58570103) is 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine is c1cc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(N6c7ccccc7Oc7ccccc76)n5)c4c32)c1.
What is the InChIKey of 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine?
The InChIKey is NMEVTUNJYMEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O2/c1-3-17-37-33(15-1)35-31-32-36-34-16-2-4-18-38(34)58(50-30-14-28-48(54-50)56-41-21-7-11-25-45(41)60-46-26-12-8-22-42(46)56)52(36)51(35)57(37)49-29-13-27-47(53-49)55-39-19-5-9-23-43(39)59-44-24-10-6-20-40(44)55/h1-32H.
What are the key properties of 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine?
10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine has a molecular weight of 772.87 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-[12-(6-phenoxazin-10-yl-2-pyridinyl)indolo[2,3-a]carbazol-11-yl]-2-pyridinyl]phenoxazine is sourced from PubChem (CID 58570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).